2XQ0
Structure of yeast LTA4 hydrolase in complex with Bestatin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-3 |
Synchrotron site | MAX II |
Beamline | I911-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.641, 99.874, 112.651 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.660 - 1.955 |
R-factor | 0.1908 |
Rwork | 0.190 |
R-free | 0.24750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xpy |
RMSD bond length | 0.007 |
RMSD bond angle | 1.112 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.700 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.060 | 0.420 |
Number of reflections | 46277 | |
<I/σ(I)> | 15.31 | 3.25 |
Completeness [%] | 98.9 | 97.6 |
Redundancy | 4 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 15%GLYCEROL , 16.95% PEG 4000 , 8.5% ISOPROPANOL AND 0.1 M MMT BUFFER (PH 7.0) WITH 0.1 M BETAINE MONOHYDRATE AS AN ADDITIVE. THE RATIOS OF PROTEIN (9.6 MG/ML) WITH BESTATIN (6 MM), RESERVOIR AND ADDITIVE IN THE DROPS WERE 2:1:0.5. |