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 |
