7ZR3
STRUCTURE OF ESTER-HYDROLASE EH0 FROM THE METAGENOME OF SORGHUM BICOLOR RHIZOSPHERE FROM THE HENFAES RESEARCH CENTRE (GWYNEDD, WALES)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-15 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.07218 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.958, 116.666, 128.557 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 64.360 - 2.010 |
R-factor | 0.1732 |
Rwork | 0.172 |
R-free | 0.20190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ypv |
RMSD bond length | 0.010 |
RMSD bond angle | 1.484 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.32) |
Phasing software | MOLREP (11.5.02) |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 64.360 | 2.060 |
High resolution limit [Å] | 2.010 | 2.010 |
Rmerge | 0.075 | 0.677 |
Rpim | 0.024 | 0.219 |
Number of reflections | 64849 | 4496 |
<I/σ(I)> | 16.6 | 3.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 10.4 | 10.6 |
CC(1/2) | 0.998 | 0.920 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 11% PEG8000, 100mM Bis-Tris pH 5.5, 100mM ammonium acetate |