| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Source type _diffrn_source.source | ROTATING ANODE |
Source details _diffrn_source.type | RIGAKU RUH2R |
Temperature [K] _diffrn.ambient_temp | 120 |
Detector technology _diffrn_detector.detector | AREA DETECTOR |
Collection date _diffrn_detector.pdbx_collection_date | 1994-08 |
Detector _diffrn_detector.type | ADSC |
| Software | |
Data collection _software.classification | ADSC |
Phasing _software.classification | SHELXL-92 |
Model building _software.classification | SHELXL-92 |
Refinement _software.classification | SHELXL-92 |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | I 2 2 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 61.954 86.053 89.079 90.0 90.0 90.0 |
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 | 999.900 | 1.250 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.150 | 1.150 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.042 | 0.019 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 112810 | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 10.11 | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 83.8 | 73.6 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 3.5 | 2.0 |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1JBC |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1996-08-23 |
Rfree _refine.ls_R_factor_R_free | 0.1670 WARNING: no Rwork given (but Rfree)!? |
Structure solution method _refine.pdbx_method_to_determine_struct | REFINEMENT |
Starting model _refine.pdbx_starting_model | PDB ENTRY 3CNA |