3B29
Human leukotriene C4 synthase in complex with dodecyl-beta-D-selenomaltoside
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-07 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97909, 0.97938, 0.97600, 0.98300 |
| Spacegroup name | F 2 3 |
| Unit cell lengths | 168.594, 168.594, 168.594 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.420 - 3.200 |
| R-factor | 0.20325 |
| Rwork | 0.203 |
| R-free | 0.20948 |
| Structure solution method | MAD |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.511 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.600 | |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.125 | 0.130 |
| Number of reflections | 6018 | |
| Completeness [%] | 89.9 | 89.9 |
| Redundancy | 22 | 22 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1M MES-NaOH, 1.6M ammonium sulfate, 0.4M magnesium chloride, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K |
