3FUE
Leukotriene A4 hydrolase in complex with fragment 5-chloroindole and bestatin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-06-28 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.977408 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 78.084, 86.936, 99.111 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.380 |
R-factor | 0.194 |
Rwork | 0.191 |
R-free | 0.25000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3fh7 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.649 |
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 | 2.490 |
High resolution limit [Å] | 2.380 | 2.380 |
Rmerge | 0.126 | 0.425 |
Number of reflections | 26939 | |
<I/σ(I)> | 4.7 | |
Completeness [%] | 97.6 | 97.5 |
Redundancy | 3.8 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 13% PEG 8000, 100 mM Imidazole pH 6.5, 100 mM Na Acetate, 5 mM YbCl3, soak vs. 25 mM 5-chloroindole then 25 mM 5-chloroindole plus 1 mM bestatin, VAPOR DIFFUSION, SITTING DROP, temperature 289K |