4L2L
Human Leukotriene A4 Hydrolase complexed with ligand 4-(4-benzylphenyl)thiazol-2-amine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-05-24 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.171, 76.701, 67.215 |
| Unit cell angles | 90.00, 98.43, 90.00 |
Refinement procedure
| Resolution | 42.180 - 1.648 |
| R-factor | 0.14337 |
| Rwork | 0.142 |
| R-free | 0.17514 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2r59 |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.162 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.750 |
| High resolution limit [Å] | 1.648 | 1.648 |
| Rmerge | 0.061 | 0.243 |
| Number of reflections | 77641 | |
| <I/σ(I)> | 26.03 | 9.24 |
| Completeness [%] | 96.8 | 91.9 |
| Redundancy | 8.51 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 6.5 | 277 | 50 mM Sodium Acetate, 22% (v/v) PEG 8000, 5 mM YbCl3, pH 6.5, LIQUID DIFFUSION, temperature 277K |
