1BE6
TRANS-CINNAMOYL-SUBTILISIN IN ANHYDROUS ACETONITRILE
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 296 |
Detector technology | IMAGE PLATE |
Collection date | 1997-04-30 |
Detector | RIGAKU RAXIS II |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 76.409, 55.261, 52.824 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.150 |
R-factor | 0.197 |
Rwork | 0.197 |
R-free | 0.23400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1scb |
RMSD bond length | 0.009 |
RMSD bond angle | 26.700 * |
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] | 14.000 | 2.200 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.053 * | 0.155 * |
Total number of observations | 44825 * | |
Number of reflections | 11217 | 1038 * |
<I/σ(I)> | 10.1 | 9 |
Completeness [%] | 88.5 | 77.3 * |
Redundancy | 4.2 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 7.5 | 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 ANHYDROUS ACETONITRILE N-TRANS-CINNAMOYL IMIDAZOLE WAS THEN ADDED |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | glutaraldehyde | 10 (%) | |
2 | 1 | 1 | cacodylate | 30 (mM) | |
3 | 1 | 1 | 10 (%) |