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 |