7L4W
Crystal structure of human monoacylglycerol lipase in complex with compound 2d
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-01-06 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 92.623, 127.215, 135.961 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.590 - 2.200 |
R-factor | 0.1883 |
Rwork | 0.186 |
R-free | 0.22110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5zun |
RMSD bond length | 0.007 |
RMSD bond angle | 1.450 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.240 |
High resolution limit [Å] | 2.200 | 5.970 | 2.200 |
Rmerge | 0.063 | 0.025 | |
Rmeas | 0.065 | 0.027 | |
Rpim | 0.027 | 0.010 | 0.465 |
Total number of observations | 294040 | ||
Number of reflections | 41130 | 2202 | 1943 |
<I/σ(I)> | 9.6 | ||
Completeness [%] | 99.8 | 99.4 | 97.1 |
Redundancy | 7.1 | 6.9 | 5.2 |
CC(1/2) | 0.999 | 0.837 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M NaOAc pH 5.5, 32-38% MPD |