1Y3G
Crystal Structure of a Silanediol Protease Inhibitor Bound to Thermolysin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-08-01 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 93.520, 93.520, 131.770 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.000 - 2.100 |
| R-factor | 0.158 |
| Rwork | 0.155 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.057 |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | TNT |
| Refinement software | TNT (V. 5-E) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.000 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.111 | 0.340 |
| Number of reflections | 19569 | |
| <I/σ(I)> | 6.4 | 2.2 |
| Completeness [%] | 96.1 | 93.1 |
| Redundancy | 6 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 294 | MES, DMSO, Ammonium Sulfate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K, pH 6.00 |
