| 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 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 2005-10-18 |
Detector _diffrn_detector.type | MARRESEARCH |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.542 |
| Software | |
Data reduction _software.classification | MOSFLM |
Data scaling _software.classification | SCALA |
Phasing _software.classification | EPMR |
Refinement _software.classification | REFMAC (5.2.0005) |
| 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} | 27.315 55.050 28.768 90.00 105.56 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54200 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 27.710 |
High resolution limit [Å] _reflns.d_resolution_high | 2.000 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.047 |
| Rmeas | - |
| Rpim | - |
Total number of observations _reflns.pdbx_number_measured_all | 20256 |
Total number unique _reflns.number_obs | 5621 |
| <I/σ(I)> | - |
Completeness [%] _reflns.percent_possible_obs | 97.5 |
Multiplicity _reflns.pdbx_redundancy | 3.8 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 3F45 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2008-10-31 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 27.7 - 2.000 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1444 / 0.2049 |
Structure solution method _refine.pdbx_method_to_determine_struct | MIR |
Starting model _refine.pdbx_starting_model | PDB ENTRY 1RTP |