| 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 | 1999-04-08 |
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 |
Model building #1 _software.classification | X-PLOR |
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 | C 1 2 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 72.14 72.26 73.09 90.00 101.23 90.00 |
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 | 36.130 | 1.570 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.500 | 1.500 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.063 | 0.245 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
| Total number unique | - | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 9.00 | 1.90 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 65.0 | 36.1 |
Multiplicity _reflns.pdbx_redundancy | 2.1 | - |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1C5N |
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 - 1.500 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2200 / 0.2460 |
Structure solution method _refine.pdbx_method_to_determine_struct | DIFFERENCE FOURIER PLUS REFINEMENT |