7AUZ
LTA4 hydrolase in complex with compound LYS006
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2014-08-28 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 78.189, 86.700, 98.962 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.920 - 1.900 |
R-factor | 0.1725 |
Rwork | 0.171 |
R-free | 0.20550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6end |
RMSD bond length | 0.010 |
RMSD bond angle | 1.000 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.5) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.920 | 28.920 | 1.950 |
High resolution limit [Å] | 1.900 | 8.500 | 1.900 |
Rmerge | 0.136 | 0.040 | 0.944 |
Rmeas | 0.148 | 0.044 | 0.900 |
Total number of observations | 355115 | ||
Number of reflections | 53639 | 667 | 3923 |
<I/σ(I)> | 10.55 | 36.25 | 1.8 |
Completeness [%] | 99.9 | 96.7 | 100 |
Redundancy | 6.62 | 6.012 | 6.25 |
CC(1/2) | 0.996 | 0.999 | 0.634 |
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 |