8QPN
LTA4 hydrolase in complex with compound 6(S)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-09-22 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.988 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 77.790, 86.869, 99.022 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.890 - 2.000 |
R-factor | 0.1904 |
Rwork | 0.189 |
R-free | 0.22340 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.940 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.8) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.000 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 45978 | 3339 |
<I/σ(I)> | 8.97 | |
Completeness [%] | 99.9 | |
Redundancy | 6.6 | |
CC(1/2) | 1.000 | 0.700 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 10% PEG 8000, 0.1 IMIDAZOLE PH 6.8, 0.1 SODIUM ACETATE, 0.005 M YBCL3 |