| 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 | ALS BEAMLINE 5.0.3 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ALS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 5.0.3 |
Temperature [K] _diffrn.ambient_temp | 100.0 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2002-02-01 |
Detector _diffrn_detector.type | ADSC QUANTUM 4 |
| Software | |
Data collection _software.classification | Blu-Ice |
Data reduction #1 _software.classification | MOSFLM |
Data reduction #2 _software.classification | CCP4 |
Data scaling #1 _software.classification | SCALEPACK |
Data scaling #2 _software.classification | CCP4 (SCALA) |
Phasing #1 _software.classification | SnB |
Phasing #2 _software.classification | MLPHARE |
Phasing #3 _software.classification | SOLVE |
Phasing #4 _software.classification | CCP4 |
Model building _software.classification | CCP4 |
Refinement _software.classification | CNS (1.0) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | I 41 3 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 244.11 244.11 244.11 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.00000 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 182.000 |
High resolution limit [Å] _reflns.d_resolution_high | 2.300 |
Rmerge _reflns.pdbx_Rsym_value | 0.099 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 52273 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 9.55 |
Completeness [%] _reflns.percent_possible_obs | 95.3 |
Multiplicity _reflns.pdbx_redundancy | 4.3 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1J6U |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2002-08-29 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 39.6 - 2.300 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2340 / 0.2790 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | WARNING: no starting model (for MR) given |