4KE9
Crystal structure of Monoglyceride lipase from Bacillus sp. H257 in complex with an 1-stearyol glycerol analogue
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-06-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.98 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 76.857, 80.287, 85.712 |
Unit cell angles | 90.00, 100.02, 90.00 |
Refinement procedure
Resolution | 43.661 - 2.200 |
R-factor | 0.2248 |
Rwork | 0.223 |
R-free | 0.26210 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.840 |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER (2.3.0) |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.661 | 43.661 | 2.320 |
High resolution limit [Å] | 2.200 | 6.960 | 2.200 |
Rmerge | 0.083 | 0.557 | |
Number of reflections | 48702 | ||
<I/σ(I)> | 9 | 7.1 | 0.9 |
Completeness [%] | 93.2 | 94.2 | 68.4 |
Redundancy | 7 | 6.8 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5 | 293 | 0.1 M citric acid pH 5.0 and 22% PEG 3350, VAPOR DIFFUSION, temperature 293K |