| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | ROTATING ANODE |
Source details _diffrn_source.type | RIGAKU RUH3R |
Temperature [K] _diffrn.ambient_temp | 290 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 2001-07-31 |
Detector _diffrn_detector.type | RIGAKU RAXIS IV++ |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.5418 |
| Software | |
Data collection _software.classification | crystal (Clear 1.3) |
Data reduction #1 _software.classification | Crystal (Clear 1.3) |
Data reduction #2 _software.classification | CrystalClear (V. 1.3 (MSC/RIGAKU)) |
Data scaling _software.classification | CrystalClear (V. 1.3 (MSC/RIGAKU)) |
Phasing _software.classification | CNS (1.1) |
Refinement _software.classification | CNS (1.1) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 21 21 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 72.80 124.01 44.45 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 19.890 |
High resolution limit [Å] _reflns.d_resolution_high | 1.900 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.086 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 31483 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 8.60 |
Completeness [%] _reflns.percent_possible_obs | 96.7 |
Multiplicity _reflns.pdbx_redundancy | 2.6 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1LS6 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2002-05-17 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 19.9 - 1.900 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1810 / 0.2060 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | PDB ID 1AQU |