2WHZ
Dipeptide Inhibitors of Thermolysin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 92.890, 92.890, 127.740 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.750 |
| R-factor | 0.16136 |
| Rwork | 0.159 |
| R-free | 0.19730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2tlx |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.442 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.3.0021) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.840 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.090 | 0.370 |
| Number of reflections | 33351 | |
| <I/σ(I)> | 14.9 | 5 |
| Completeness [%] | 99.8 | 99.3 |
| Redundancy | 7.3 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
