4UUQ
Crystal structure of human mono-glyceride lipase in complex with SAR127303
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-10-20 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 86.250, 126.260, 138.620 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 73.320 - 2.360 |
R-factor | 0.215 |
Rwork | 0.210 |
R-free | 0.25910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3jw8 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | BUSTER-TNT (2.5.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 73.320 | 2.500 |
High resolution limit [Å] | 2.360 | 2.360 |
Rmerge | 0.010 | 0.450 |
Number of reflections | 20609 | |
<I/σ(I)> | 17.7 | 2.6 |
Completeness [%] | 95.2 | 97.1 |
Redundancy | 4.6 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | 277 | MES BUFFER 50MM PH6.0, MPD 40%(V/V) AT 4C |