| 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 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 | 1999-03-05 |
Detector _diffrn_detector.type | MARRESEARCH |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.00 |
| Software | |
Data collection _software.classification | MADNESS |
Data reduction #1 _software.classification | DENZO |
Data reduction #2 _software.classification | TRUNCATE |
Data reduction #3 _software.classification | cad |
Data reduction #4 _software.classification | XPREP |
Data reduction #5 _software.classification | MADNESS |
Data scaling #1 _software.classification | CCP4 (TRUNCATE) |
Data scaling #2 _software.classification | CAD |
Phasing #1 _software.classification | AMoRE |
Phasing #2 _software.classification | SHELXD |
Phasing #3 _software.classification | MLPHARE |
Phasing #4 _software.classification | DM |
Model building #1 _software.classification | DM |
Model building #2 _software.classification | ARP/wARP |
Refinement _software.classification | CNS |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 21 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 49.6 155.3 168.6 90.0 90.6 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.979000.979100.950000.978701.00000 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 19.920 |
High resolution limit [Å] _reflns.d_resolution_high | 2.150 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.037 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 264452 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 15.50 |
Completeness [%] _reflns.percent_possible_obs | 96.8 |
| Multiplicity | - |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1M32 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2002-06-26 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 20.0 - 2.200 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1660 / 0.2000 |
Structure solution method _refine.pdbx_method_to_determine_struct | MAD |