1AF4
CRYSTAL STRUCTURE OF SUBTILISIN CARLSBERG IN ANHYDROUS DIOXANE
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 296 |
Detector technology | IMAGE PLATE |
Collection date | 1996-03-07 |
Detector | RIGAKU RAXIS II |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 77.000, 55.200, 53.850 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 6.000 - 2.600 |
R-factor | 0.161 |
Rwork | 0.161 |
R-free | 0.24800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1sbc |
RMSD bond length | 0.012 |
RMSD bond angle | 25.800 * |
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] | 14.000 | 2.700 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.142 * | 0.387 * |
Total number of observations | 39403 * | |
Number of reflections | 7111 | 745 * |
<I/σ(I)> | 6.2 | 4.3 |
Completeness [%] | 96.0 | 96.2 * |
Redundancy | 5.5 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Batch method * | 5.6 | Neidhart, D.J., (1988) Protein Eng., 2, 271. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | cacodylate | 330 (mM) | |
2 | 1 | 1 | ammonium sulfate | 13 (%sat) |