6T6H
Apo structure of the Bottromycin epimerase BotH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-02-06 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 0.97794 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 66.683, 80.133, 88.699 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.260 - 1.180 |
R-factor | 0.1574 |
Rwork | 0.157 |
R-free | 0.16800 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.139 |
Data reduction software | xia2 |
Data scaling software | XDS |
Phasing software | AutoSol |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.260 | 1.200 |
High resolution limit [Å] | 1.170 | 1.170 |
Rmerge | 0.035 | 0.634 |
Number of reflections | 77123 | 5273 |
<I/σ(I)> | 21.4 | 2.5 |
Completeness [%] | 98.7 | 93.5 |
Redundancy | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | MES, ammonium sulfate |