| 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 | ENRAF-NONIUS |
Temperature [K] _diffrn.ambient_temp | 100.0 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2004-01-16 |
Detector _diffrn_detector.type | ENRAF-NONIUS |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.5418 |
| Software | |
Data collection _software.classification | SAINTPLUS |
Data reduction #1 _software.classification | LSCALE |
Data reduction #2 _software.classification | SAINT (PLUS) |
Data scaling _software.classification | LSCALE |
Phasing _software.classification | AMoRE |
Refinement _software.classification | CNS (1.0) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 61 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 83.458 83.458 106.787 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 20.000 |
High resolution limit [Å] _reflns.d_resolution_high | 2.900 |
Rmerge _reflns.pdbx_Rsym_value | 0.101 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 9401 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 7.20 |
| Completeness [%] | - |
Multiplicity _reflns.pdbx_redundancy | 14.6 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 2F1I |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2005-11-14 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 20.0 - 2.900 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2090 / 0.2560 |
Structure solution method _refine.pdbx_method_to_determine_struct | FOURIER SYNTHESIS |
Starting model _refine.pdbx_starting_model | PDB ENTRY 1T4G |