3FUJ
Leukotriene A4 hydrolase in complex with 5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-12-07 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 78.516, 87.395, 99.609 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.900 |
R-factor | 0.168 |
Rwork | 0.166 |
R-free | 0.20000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3fh7 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.453 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.084 | 0.344 |
Number of reflections | 53229 | |
<I/σ(I)> | 8.9 | |
Completeness [%] | 97.4 | 81.4 |
Redundancy | 7 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 13% PEG 8000, 100 mM Imidazole pH 6.5, 100 mM Na Acetate, 5 mM YbCl3, crystal soaked overnight with 15 mM 5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole, VAPOR DIFFUSION, SITTING DROP |