3HKK
Structure of human Leukotriene C4 synthase in complex with glutathione sulfonate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-01-30 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.8726 |
| Spacegroup name | F 2 3 |
| Unit cell lengths | 170.718, 170.718, 170.718 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.180 - 2.900 |
| R-factor | 0.187 |
| Rwork | 0.185 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2uuh |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.582 |
| Data scaling software | SCALA (3.2.25) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 98.564 | 3.060 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.145 | 0.855 |
| Total number of observations | 33674 | |
| Number of reflections | 9259 | |
| <I/σ(I)> | 4.856 | 0.9 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 25.1 | 25.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 2M AmSO4, 0.1M Bis-Tris, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
