4YPV
High-resolution structure of a metagenome-derived esterase Est8
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-10-24 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.919 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 85.496, 85.496, 98.665 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.985 - 1.850 |
R-factor | 0.1513 |
Rwork | 0.150 |
R-free | 0.18060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1evq |
RMSD bond length | 0.006 |
RMSD bond angle | 0.986 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.985 | 1.960 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.046 | 0.571 |
Number of reflections | 35630 | |
<I/σ(I)> | 14.44 | 2.23 |
Completeness [%] | 98.4 | 97.1 |
Redundancy | 3.47 | 3.53 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 291 | 1% PEG 8000, 1.4 M Triammonium citrate |