7AV2
LTA4 hydrolase in complex with fragment1
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 | 2012-02-12 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 77.818, 87.025, 98.888 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.890 - 1.950 |
R-factor | 0.1634 |
Rwork | 0.161 |
R-free | 0.20870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6end |
RMSD bond length | 0.010 |
RMSD bond angle | 1.030 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 24.890 | 24.890 | 2.000 |
High resolution limit [Å] | 1.950 | 8.720 | 1.950 |
Rmerge | 0.121 | 0.037 | 0.754 |
Rmeas | 0.133 | 0.041 | 0.833 |
Total number of observations | 272119 | ||
Number of reflections | 49278 | 577 | 3621 |
<I/σ(I)> | 11.85 | 34.45 | 2.68 |
Completeness [%] | 99.3 | 90 | 99.4 |
Redundancy | 5.522 | 5.473 | 5.53 |
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 |