| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SAD |
Source type _diffrn_source.source | SYNCHROTRON |
Source details _diffrn_source.type | BSRF BEAMLINE 3W1A |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | BSRF |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 3W1A |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 2003-07-01 |
Detector _diffrn_detector.type | MARRESEARCH |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.7500 |
| Software | |
Data collection _software.classification | MAR345 |
Data reduction #1 _software.classification | DENZO |
Data reduction #2 _software.classification | AUTOMAR |
Data scaling _software.classification | SCALEPACK |
Phasing #1 _software.classification | SHELX |
Phasing #2 _software.classification | SHARP |
Phasing #3 _software.classification | DM |
Phasing #4 _software.classification | SOLOMON |
Model building _software.classification | ARP |
Refinement _software.classification | CNS (1.1) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | I 2 2 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 61.381 78.421 106.610 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.936301.75000 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 33.000 | 1.630 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.600 | 1.600 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.078 | 0.330 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_all | 34039 | 1571 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 11.90 | 3.28 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 85.0 | 93.8 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 5.5 | 4.5 |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1RC9 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2003-11-03 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 32.4 - 1.600 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1920 / 0.2190 |
Structure solution method _refine.pdbx_method_to_determine_struct | SAD |