| 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 RU200 |
Temperature [K] _diffrn.ambient_temp | 289 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 1995-03-14 |
Detector _diffrn_detector.type | HENDRIX-LENTFER |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.5418 |
| Software | |
Data reduction _software.classification | MOSFLM |
Data scaling #1 _software.classification | CCP4 (AGROVATA |
Data scaling #2 _software.classification | ROTAVATA |
Phasing #1 _software.classification | CCP4 |
Phasing #2 _software.classification | SFCALC |
Phasing #3 _software.classification | FFT |
Model building #1 _software.classification | CCP4: (SFCALC) |
Model building #2 _software.classification | FFT |
Refinement _software.classification | X-PLOR (3.851) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | H 3 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 131.72 131.72 112.46 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 | 15.656 |
High resolution limit [Å] _reflns.d_resolution_high | 2.031 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.104 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 45791 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 5.50 |
Completeness [%] _reflns.percent_possible_obs | 97.5 |
Multiplicity _reflns.pdbx_redundancy | 2.4 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1IDQ |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2001-04-05 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 8.0 - 2.030 Å |
Rwork _refine.ls_R_factor_R_work | 0.1698 WARNING: no Rfree given (but Rwork)!? |
Structure solution method _refine.pdbx_method_to_determine_struct | FOURIER SYNTHESIS |
Starting model _refine.pdbx_starting_model | 1VNC |