4XVC
Crystal structure of an esterase from the bacterial hormone-sensitive lipase (HSL) family
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-11-06 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9793 |
Spacegroup name | P 1 |
Unit cell lengths | 74.630, 76.172, 130.186 |
Unit cell angles | 74.04, 75.15, 72.60 |
Refinement procedure
Resolution | 39.330 - 2.000 |
R-factor | 0.198 |
Rwork | 0.196 |
R-free | 0.23200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3h18 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.088 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE: 1.6.4_486)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.118 | 0.248 |
Number of reflections | 161567 | |
<I/σ(I)> | 24.417 | |
Completeness [%] | 97.3 | 96.7 |
Redundancy | 3.9 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 277 | 0.15M ammonium sulfate, 0.1M MES, 12%(w/v) PEG 4,000 |