3FLF
Thermolysin inhibition
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-04-28 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 92.658, 92.658, 130.477 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 1.970 |
| R-factor | 0.2015 |
| Rwork | 0.200 |
| R-free | 0.26510 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1tmn |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.019 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.000 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Number of reflections | 23714 | |
| <I/σ(I)> | 14.8 | 3.8 |
| Completeness [%] | 98.5 | 99.7 |
| Redundancy | 6.3 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 288 | 50mM Tris/HCl, 50% DMSO, 1.9 MCsCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 288K |
