3VSB
SUBTILISIN CARLSBERG D-NAPHTHYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 287 |
| Detector technology | AREA DETECTOR |
| Collection date | 1996-08 |
| Detector | SIEMENS |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.000, 55.400, 76.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.600 |
| R-factor | 0.155 |
| Rwork | 0.155 |
| R-free | 0.29900 |
| Structure solution method | ISOSTRUCTURAL TO 1SCA |
| Starting model (for MR) | 1sca |
| RMSD bond length | 0.011 |
| RMSD bond angle | 24.800 * |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.710 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.091 * | |
| Number of reflections | 6957 | |
| <I/σ(I)> | 6 | 2.5 |
| Completeness [%] | 77.0 | 41.1 |
| Redundancy | 4 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 5.6 * | Petsko, G.A., (1976) J.Mol.Biol., 106, 453. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | protein | 0.5 (%) | |
| 2 | 1 | 1 | aqueous sodium sulfate | 17 (%) |
