| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Source type _diffrn_source.source | ROTATING ANODE |
Source details _diffrn_source.type | ENRAF-NONIUS FR571 |
Temperature [K] _diffrn.ambient_temp | 293 |
Detector technology _diffrn_detector.detector | DIFFRACTOMETER |
Collection date _diffrn_detector.pdbx_collection_date | 1994-12-16 |
Detector _diffrn_detector.type | ENRAF-NONIUS FAST |
| Software | |
Data collection _software.classification | MADNES |
Data reduction #1 _software.classification | ROTAVATA |
Data reduction #2 _software.classification | Agrovata |
Data reduction #3 _software.classification | MADNES |
Data scaling #1 _software.classification | CCP4 (AGROVATA |
Data scaling #2 _software.classification | ROTAVATA |
Phasing _software.classification | X-PLOR |
Model building _software.classification | X-PLOR |
Refinement _software.classification | X-PLOR |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 32 2 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 49.3 49.3 78.9 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 | 7.000 | 2.100 |
High resolution limit [Å] _reflns_shell.d_res_high | - | 2.000 |
| - | - | |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.070 | 0.353 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 6323 | - |
| <I/σ(I)> | - | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 76.0 | 37.4 |
Multiplicity _reflns.pdbx_redundancy | 3.7 | - |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1TGJ |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1996-07-09 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 7.0 - 2.000 Å |
R _refine.ls_R_factor_obs | 0.1750 |
Rwork _refine.ls_R_factor_R_work | 0.1750 WARNING: no Rfree given? |
Structure solution method _refine.pdbx_method_to_determine_struct | MR |
Starting model _refine.pdbx_starting_model | TGF-BETA2 (SCHLUNEGGER & GRUETTER) |