7RDU
Crystal structure of Campylobacter jejuni keto said reductoisomerase in complex with magnesium and oxidixized and reduced NADPH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-07-15 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.0000 |
Spacegroup name | I 2 3 |
Unit cell lengths | 130.108, 130.108, 130.108 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.000 - 2.502 |
R-factor | 0.2014 |
Rwork | 0.195 |
R-free | 0.25600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ypo |
RMSD bond length | 0.003 |
RMSD bond angle | 0.634 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.100 | 2.540 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.127 | 0.823 |
Rpim | 0.039 | 0.603 |
Number of reflections | 12712 | 554 |
<I/σ(I)> | 35.3 | 1.4 |
Completeness [%] | 99.2 | 91.3 |
Redundancy | 13.1 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | The buffer was 0.2 M KNO3, 20% PEG3350. The well solution (which was not added to the drop) was 35% PEG3350, 250 mM MgCl2, 20 mM Tris-HCl pH 8.0. |