5KBE
CRYSTAL STRUCTURE OF THE AROMATIC SENSOR DOMAIN OF MOPR IN COMPLEX WITH PHENOL
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-09-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.95 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.178, 93.064, 119.867 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.660 - 2.500 |
R-factor | 0.18519 |
Rwork | 0.182 |
R-free | 0.24432 |
Structure solution method | SAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.836 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | Auto-Rickshaw |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.550 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.120 | 0.760 |
Number of reflections | 18123 | |
<I/σ(I)> | 13.63 | 2.8 |
Completeness [%] | 99.7 | 99.1 |
Redundancy | 7.13 | 7.21 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 293 | 0.1 M LISO4, 12% W/V PEG 6000, 0.1M TRI-SODIUM CITRATE (PH 5.6) |