| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | MAD |
Source type _diffrn_source.source | SYNCHROTRON |
Source details _diffrn_source.type | ALS BEAMLINE 8.2.1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ALS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 8.2.1 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2004-01-07 |
Detector _diffrn_detector.type | ADSC QUANTUM 210 |
| 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 (2.06; 28-Dec-2003; Tom Terwilliger; terwilliger@LANL.gov) |
Phasing #2 _software.classification | SHELX (George Sheldrick; gsheldr@shelx.uni-ac.gwdg.de) |
Phasing #3 _software.classification | RESOLVE (2.06; 02-Jan-2004; Terwilliger, T. C; terwilliger@LANL.gov) |
Phasing #4 _software.classification | SHELXD |
Refinement _software.classification | REFMAC (Murshudov, G.N.; ccp4@dl.ac.uk) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 21 21 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 61.442 65.041 39.201 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97954 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 44.721 | 50.000 | 2.180 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.098 | 4.520 | 2.100 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.108 | 0.066 | 0.375 |
| Rmeas | - | - | - |
| Rpim | - | - | - |
| Total number of observations | - | - | - |
Total number unique _reflns.number_obs | 8236 | - | - |
| <I/σ(I)> | - | - | - |
Completeness [%] _reflns.percent_possible_obs | 85.0 | - | - |
| Multiplicity | - | - | - |
| CC(1/2) | - | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1VJQ |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2004-03-19 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 44.7 - 2.098 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1991 / 0.2906 |
Structure solution method _refine.pdbx_method_to_determine_struct | MAD |