| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | SYNCHROTRON |
Source details _diffrn_source.type | APS BEAMLINE 22-ID |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | APS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 22-ID |
Temperature [K] _diffrn.ambient_temp | 100.0 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2003-12-19 |
Detector _diffrn_detector.type | MARMOSAIC 225 mm CCD |
| Software | |
Data reduction _software.classification | DENZO (Zbyszek Otwinowski; zbyszek@mix.swmed.edu) |
Data scaling _software.classification | SCALEPACK (Zbyszek Otwinowski; zbyszek@mix.swmed.edu) |
Phasing #1 _software.classification | SOLVE (2.03; 20-Sept-2002; Tom Terwilliger; terwilliger@LANL.gov) |
Phasing #2 _software.classification | RESOLVE (2.03; 10-Aug-2002; Terwilliger, T. C; terwilliger@LANL.gov) |
Phasing #3 _software.classification | SCA2STRUCTURE (PIPELINE) |
Model building #1 _software.classification | ARP/wARP (refmac_5.2.0001; 24/04/2001; Murshudov, G.N.; ccp4@dl.ac.uk) |
Model building #2 _software.classification | MolProbity (2003) |
Refinement _software.classification | REFMAC (refmac_5.2.0001; 24/04/2001; Murshudov, G.N.; ccp4@dl.ac.uk) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | C 1 2 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 115.148 40.099 65.671 90.00 122.29 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.07000 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 50.000 | 1.240 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.200 | 1.200 |
Rmerge _reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value | 0.040 | 0.140 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
| Total number unique | - | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 34.30 | 4.10 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 80.5 | 21.5 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 2.4 | 1.1 |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1VK1 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2004-04-13 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 55.9 - 1.200 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1650 / 0.1750 |
Structure solution method _refine.pdbx_method_to_determine_struct | SINGLE WAVELENGTH ANOMALOUS SCATTERING |