3FUF
Leukotriene A4 hydrolase in complex with fragment 5-fluoroindole 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 | 78.497, 87.075, 99.573 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.600 |
| R-factor | 0.189 |
| Rwork | 0.186 |
| R-free | 0.25100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fh7 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.683 |
| 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 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.144 | 0.457 |
| Number of reflections | 20571 | |
| <I/σ(I)> | 4.5 | |
| Completeness [%] | 95.5 | 91.1 |
| Redundancy | 4.5 | 3.8 |
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 with 25 mM 5-fluoroindole then 25 mM 5-fluoroindole plus 1 mM bestatin, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
