3FUK
Leukotriene A4 hydrolase in complex with 1-[2-(1H-indol-5-yloxy)ethyl]piperidine-4-carboxylic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-11 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97648 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 78.176, 87.220, 99.899 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.950 |
R-factor | 0.193 |
Rwork | 0.191 |
R-free | 0.23300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3fh7 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.261 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0053) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.980 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.134 | 0.743 |
Number of reflections | 49997 | |
<I/σ(I)> | 7.9 | |
Completeness [%] | 98.6 | 96.8 |
Redundancy | 4.6 | 4.1 |
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, crystal soaked in 13% PEG 8000, 100 mM Imidazole, 100 mM Sodium acetate, 150 mM NaCl, 25 mM 1-[2-(1H-indol-5-yloxy)ethyl]piperidine-4-carboxylic acid, VAPOR DIFFUSION, SITTING DROP, temperature 289K |