| 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 | BRUKER AXS MICROSTAR |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2005-11-28 |
Detector _diffrn_detector.type | BRUKER SMART 6000 |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.5418 |
| Software | |
Data reduction #1 _software.classification | PROTEUM PLUS (2) |
Data reduction #2 _software.classification | XPREP |
Data scaling #1 _software.classification | SAINT |
Data scaling #2 _software.classification | SADABS |
Phasing _software.classification | MOLREP |
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} | 31.138 90.041 36.326 90.00 112.99 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 18.674 |
High resolution limit [Å] _reflns.d_resolution_high | 2.450 |
Rmerge _reflns.pdbx_Rsym_value | 0.079 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 4223 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 10.88 |
Completeness [%] _reflns.percent_possible_obs | 61.9 |
Multiplicity _reflns.pdbx_redundancy | 1.2 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 2FD3 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2005-12-13 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 16.4 - 2.450 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1798 / 0.3049 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | pdb entry 2TRX_A |