1A2J
OXIDIZED DSBA CRYSTAL FORM II
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 289 |
Detector technology | IMAGE PLATE |
Collection date | 1995-10-10 |
Detector | RIGAKU |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 38.520, 51.380, 42.500 |
Unit cell angles | 90.00, 103.08, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.000 |
R-factor | 0.182 |
Rwork | 0.182 |
R-free | 0.22700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fvk |
RMSD bond length | 0.005 |
RMSD bond angle | 22.400 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR (3.1) |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.046 | 0.153 |
Total number of observations | 38303 * | |
Number of reflections | 10434 * | |
<I/σ(I)> | 16 | 7.4 |
Completeness [%] | 94.2 | 81.6 |
Redundancy | 3.8 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 5 | 27% PEG 4K IN 0.1M ACETATE BUFFER PH 5.0 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 40 (mg/ml) | |
2 | 1 | reservoir | PEG4000 | 27 (%) | |
3 | 1 | reservoir | acetate | 0.1 (M) |