1BFU
SUBTILISIN CARLSBERG IN 20% DIOXANE
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 296 |
Detector technology | IMAGE PLATE |
Collection date | 1998-01-17 |
Detector | RIGAKU RAXIS II |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 77.555, 55.173, 53.862 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.200 |
R-factor | 0.187 |
Rwork | 0.187 |
R-free | 0.24500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1af4 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR (3.8) |
Refinement software | X-PLOR (3.8) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.300 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.129 * | 0.357 * |
Total number of observations | 44882 * | |
Number of reflections | 11408 | 1195 * |
<I/σ(I)> | 9.9 | 3.9 |
Completeness [%] | 93.8 | 85 |
Redundancy | 3.9 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 5.6 | PROTEIN WAS CRYSTALLIZED FROM 13% SODIUM SULFATE, 30 MM CACODYLATE, PH 5.6; THEN CROSS-LINKED WITH 10% GLUTARALDEHYDE IN 13% SODIUM SULFATE, 30 MM CACODYLATE, PH 7.5, WASHED WITH DISTILLED WATER, AND TRANSFERRED TO 20% DIOXANE. |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | cacodylate | 330 (mM) | |
2 | 1 | 1 | sodium sulfate | 13 (%sat) |