6HSU
The crystal structure of type II Dehydroquinase from Psychromonas ingrahamii 37, crystal form 2
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 | 2018-02-25 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.915870 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 137.572, 137.948, 139.417 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 79.980 - 1.600 |
| R-factor | 0.1919 |
| Rwork | 0.191 |
| R-free | 0.20770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6hsq |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.828 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.6.2) |
| Phasing software | AMoRE (7.0.052) |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 137.570 | 137.570 | 1.630 |
| High resolution limit [Å] | 1.600 | 8.760 | 1.600 |
| Rmerge | 0.107 | 0.060 | 3.327 |
| Rmeas | 0.120 | 0.066 | 3.688 |
| Rpim | 0.052 | 0.028 | 1.563 |
| Total number of observations | 1904219 | ||
| Number of reflections | 346154 | 2293 | 16829 |
| <I/σ(I)> | 7.3 | ||
| Completeness [%] | 99.7 | 98.3 | 98.4 |
| Redundancy | 5.5 | 5.5 | 5.7 |
| CC(1/2) | 0.993 | 0.991 | 0.168 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 2M sodium chloride, 0.2M sodium tartrate, 0.1M MOPS pH 6.5 |
