4MKT
Human Leukotriene A4 Hydrolase in complex with Pro-Gly-Pro analogue and 4-(4-benzylphenyl)thiazol-2-amine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-04-11 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.918 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 76.809, 87.588, 100.056 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.790 - 1.618 |
| R-factor | 0.15784 |
| Rwork | 0.156 |
| R-free | 0.19294 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dpr |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.072 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.790 | 1.720 |
| High resolution limit [Å] | 1.618 | 1.618 |
| Rmerge | 0.098 | 1.000 |
| Number of reflections | 86391 | |
| <I/σ(I)> | 13.51 | 1.96 |
| Completeness [%] | 99.7 | 98.8 |
| Redundancy | 6.61 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 7 | 277 | 50 mM Sodium Acetate, 22% (v/v) PEG 8000, 5 mM YbCl3, pH 7.0, LIQUID DIFFUSION, temperature 277K |
