5N3W
Crystal structure of LTA4H bound to a selective inhibitor against LTB4 generation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-07-27 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.250, 87.050, 99.960 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 65.650 - 2.300 |
| R-factor | 0.24196 |
| Rwork | 0.239 |
| R-free | 0.28758 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sqm |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.712 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.142 | 0.497 |
| Number of reflections | 29612 | |
| <I/σ(I)> | 5.9 | 1.9 |
| Completeness [%] | 96.4 | 94.1 |
| Redundancy | 3.8 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 20 % PEG 8000, 0.1 M Sodium Acetate, 0.15 mM Imidazole pH7.8, 5 mM YbCl3 |
