| 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 17-ID |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | APS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 17-ID |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2001-09-23 |
Detector _diffrn_detector.type | ADSC QUANTUM 210 |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.9793, 0.9795, 0.9664, 0.9832 |
| Software | |
Data reduction #1 _software.classification | XPREP |
Data reduction #2 _software.classification | DENZO |
Data scaling _software.classification | SCALEPACK |
Phasing #1 _software.classification | SOLVE |
Phasing #2 _software.classification | RESOLVE |
Phasing #3 _software.classification | CNS |
Phasing #4 _software.classification | SHELX |
Model building #1 _software.classification | RESOLVE |
Model building #2 _software.classification | SHELX |
Refinement #1 _software.classification | SHELXL-97 |
Refinement #2 _software.classification | CNS |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 21 21 21 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 42.476 63.317 75.465 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.979300.979500.966400.98320 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 19.450 | 1.000 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 0.990 | 0.990 |
Rmerge _reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value | 0.063 | 0.349 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_all | 206417 | 3599 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 16.70 | 2.40 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 94.2 | 55.7 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 4.8 | 0.9 |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1MWQ |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2002-09-30 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 15.0 - 0.990 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1078 / 0.1319 |
Structure solution method _refine.pdbx_method_to_determine_struct | MAD |