| 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 | APS BEAMLINE 19-BM |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | APS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 19-BM |
Temperature [K] _diffrn.ambient_temp | 115 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2004-08-22 |
Detector _diffrn_detector.type | CUSTOM-MADE |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.97931,0.97947 |
| Software | |
Data collection _software.classification | SBC-Collect |
Data scaling _software.classification | SCALEPACK |
Phasing #1 _software.classification | SHELXD |
Phasing #2 _software.classification | MLPHARE |
Model building _software.classification | ARP/wARP |
Refinement _software.classification | REFMAC (5.2.0005) |
| 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} | 76.716 55.175 49.875 90.00 120.39 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.979310.97947 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 43.000 | 1.790 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.700 | 1.720 |
Rmerge _reflns_shell.Rmerge_I_obs | - | 0.121 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 18421 | - |
<I/σ(I)> _reflns_shell.meanI_over_sigI_obs | - | 5.10 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 92.7 | 59.2 |
| Multiplicity | - | - |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1YQH |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2005-02-01 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 43.0 - 1.700 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1620 / 0.2006 |
Structure solution method _refine.pdbx_method_to_determine_struct | MAD |