6SMF
THE CRYSTAL STRUCTURE OF TYPE II DEHYDROQUINASE FROM ZYMOMONAS MOBILIS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-08-06 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.915890 |
| Spacegroup name | H 3 |
| Unit cell lengths | 133.627, 133.627, 101.670 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 66.900 - 2.343 |
| R-factor | 0.1667 |
| Rwork | 0.164 |
| R-free | 0.21200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lwz |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.805 |
| Data reduction software | XDS (Mar 15, 2019) |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 66.900 | 66.900 | 2.481 |
| High resolution limit [Å] | 2.343 | 6.709 | 2.343 |
| Rmerge | 0.045 | 0.021 | 1.176 |
| Rmeas | 0.050 | 0.023 | 1.301 |
| Rpim | 0.022 | 0.010 | 0.556 |
| Number of reflections | 24281 | 1212 | 1215 |
| <I/σ(I)> | 18.4 | 57.9 | 1.4 |
| Completeness [%] | 94.0 | 100 | 52.5 |
| Redundancy | 5.3 | 5.5 | 5.5 |
| CC(1/2) | 1.000 | 1.000 | 0.585 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 15% PEG 8000, 0.1 M HEPES pH 7.5 |
