1A2L
REDUCED DSBA AT 2.7 ANGSTROMS RESOLUTION
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 289 |
Detector technology | IMAGE PLATE |
Collection date | 1996-12-10 |
Detector | RIGAKU RAXIS IIC |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 88.880, 83.360, 58.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.700 |
R-factor | 0.233 |
Rwork | 0.233 |
R-free | 0.28500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fvk |
RMSD bond length | 0.004 |
RMSD bond angle | 22.200 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR (3.851) |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.118 | 0.294 |
Total number of observations | 18501 * | |
Number of reflections | 9160 * | |
<I/σ(I)> | 7 | 2.2 |
Completeness [%] | 73.6 | 56.1 |
Redundancy | 2 | 1.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Microdialysis * | 5.6 | 0.2 M AMMONIUM ACETATE, 0.1M SODIUM CITRATE PH 5.6 30% (W/V) PEG 4000 AND 40MM DTT. |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | protein | 60 (mg/ml) | |
2 | 1 | 2 | ammonium acetate | 0.2 (M) | |
3 | 1 | 2 | sodium citrate | 0.1 (M) | |
4 | 1 | 2 | PEG4000 | 30 (%(w/v)) | |
5 | 1 | 2 | dithiothreitol | 40 (mM) |