| 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 | MAX II BEAMLINE I711 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | MAX II |
Beamline _diffrn_source.pdbx_synchrotron_beamline | I711 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 2000-11-18 |
Detector _diffrn_detector.type | MARRESEARCH |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.946 |
| Software | |
Data reduction #1 _software.classification | DENZO |
Data reduction #2 _software.classification | TRUNCATE |
Data scaling _software.classification | CCP4 (TRUNCATE) |
Phasing _software.classification | AMoRE |
Refinement _software.classification | REFMAC (5.1.24) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 41 21 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 116.65 116.65 216.78 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.94600 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 20.000 |
High resolution limit [Å] _reflns.d_resolution_high | 3.300 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.131 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 22527 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 7.50 |
| Completeness [%] | - |
Multiplicity _reflns.pdbx_redundancy | 5.3 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1K39 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2001-10-02 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 20.0 - 3.290 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2051 / 0.2621 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | PDB ENTRY 1HNU |