| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | ROTATING ANODE |
Temperature [K] _diffrn.ambient_temp | 298 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 1998-02-13 |
Detector _diffrn_detector.type | RIGAKU RAXIS IV++ |
| Software | |
Data collection _software.classification | bioteX (MSC) |
Data reduction _software.classification | bioteX (MSC) |
Data scaling _software.classification | bioteX |
Phasing _software.classification | X-PLOR (3.1) |
Model building #1 _software.classification | X-PLOR (3.1) |
Model building #2 _software.classification | Quanta |
Model building #3 _software.classification | Insight II |
Refinement _software.classification | X-PLOR (3.1) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 31 2 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 54.95 54.95 109.69 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 28.890 | 1.430 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.330 | 1.370 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.057 | 0.218 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
| Total number unique | - | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 14.40 | 2.30 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 84.0 | 35.1 |
Multiplicity _reflns.pdbx_redundancy | 3.1 | - |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1C5T |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1999-12-22 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 7.5 - 1.370 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1760 / 0.1950 |
Structure solution method _refine.pdbx_method_to_determine_struct | DIFFERENCE FOURIER PLUS REFINEMENT |