3FTV
Leukotriene A4 hydrolase in complex with fragment N-(pyridin-3-ylmethyl)aniline
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-04-20 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 78.124, 87.000, 99.328 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.700 |
R-factor | 0.176 |
Rwork | 0.175 |
R-free | 0.20600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3fh7 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.324 |
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 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.081 | 0.295 |
Number of reflections | 65239 | |
<I/σ(I)> | 6.7 | |
Completeness [%] | 86.8 | 48 |
Redundancy | 4.7 | 2.3 |
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 in 20 mM N-(pyridin-3-ylmethyl)aniline , VAPOR DIFFUSION, SITTING DROP, temperature 289K |