3LEO
Structure of human Leukotriene C4 synthase mutant R31Q in complex with glutathione
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-18 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.93340 |
| Spacegroup name | F 2 3 |
| Unit cell lengths | 169.540, 169.540, 169.540 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.100 |
| R-factor | 0.1729 |
| Rwork | 0.172 |
| R-free | 0.19600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2uuh |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.814 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (1.3.3) |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.200 |
| High resolution limit [Å] | 1.910 | 2.100 |
| Rmerge | 0.070 | 0.014 |
| Number of reflections | 31117 | |
| <I/σ(I)> | 20.85 | 1.1 |
| Completeness [%] | 99.1 | 91.6 |
| Redundancy | 7.1 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 2 M AmSO4, 0.1 M Bis-Tris, pH 6.5, Vapor diffusion, Sitting drop, temperature 298K |
