5NI6
Crystal structure of human LTA4H mutant D375N in complex with LTA4
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 | 2014-12-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.130, 87.450, 99.460 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.229 - 1.540 |
| R-factor | 0.1597 |
| Rwork | 0.158 |
| R-free | 0.19080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ni2 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.947 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.229 | 1.600 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.104 | 1.729 |
| Rpim | 0.045 | 0.753 |
| Number of reflections | 100716 | 9575 |
| <I/σ(I)> | 10.35 | 1.06 |
| Completeness [%] | 99.5 | 95.77 |
| Redundancy | 6.5 | 6.3 |
| CC(1/2) | 0.998 | 0.432 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 7 | 277 | 22% (w/v) PEG 8000, 100 mM imidazole pH 7.0, 100 mM sodium acetate, 5 mM YbCl3 |
