6O15
Crystal structure of a putative oxidoreductase YjhC from Escherichia coli in complex with NAD(H)
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 | PIXEL |
Collection date | 2018-07-06 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9573 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.514, 84.673, 188.118 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.180 - 1.350 |
R-factor | 0.1508 |
Rwork | 0.150 |
R-free | 0.16870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5a02 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.061 |
Data reduction software | XDS |
Data scaling software | Aimless (CCP4 Program Suite v7.0.068) |
Phasing software | PHASER (CCP4 Program Suite v7.0.068) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.182 | 45.180 | 1.370 |
High resolution limit [Å] | 1.350 | 7.390 | 1.350 |
Rmerge | 0.084 | 0.039 | 2.106 |
Rmeas | 0.088 | 0.040 | 2.255 |
Rpim | 0.024 | 0.012 | 0.795 |
Total number of observations | 14639 | 68650 | |
Number of reflections | 181008 | 1262 | 8815 |
<I/σ(I)> | 14.2 | 39.1 | 1 |
Completeness [%] | 99.9 | 99.5 | 99.3 |
Redundancy | 12.8 | 11.6 | 7.8 |
CC(1/2) | 0.999 | 0.999 | 0.552 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 1.5 M Ammonium sulfate, 0.1 M Sodium acetate |