| 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 | NSLS BEAMLINE X25 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | NSLS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | X25 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2000-07-30 |
Detector _diffrn_detector.type | BRANDEIS - B4 |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.3 |
| Software | |
Data reduction _software.classification | DENZO |
Data scaling _software.classification | SCALEPACK |
Phasing #1 _software.classification | SOLVE |
Phasing #2 _software.classification | SHARP |
Phasing #3 _software.classification | DM |
Model building _software.classification | DM |
Refinement _software.classification | CNS (1.0) |
| 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} | 92.6 200.1 116.8 90.0 111.5 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.30000 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 100.000 |
High resolution limit [Å] _reflns.d_resolution_high | 2.800 |
Rmerge _reflns.pdbx_Rsym_value | 0.086 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 90759 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 8.60 |
Completeness [%] _reflns.percent_possible_obs | 94.0 |
Multiplicity _reflns.pdbx_redundancy | 2.5 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1JQK |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2001-08-07 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 100.0 - 2.800 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2570 / 0.2870 |
Structure solution method _refine.pdbx_method_to_determine_struct | MAD |