7CXT
Crystal structure of a GDP-6-OMe-4-keto-L-xylo-heptose reductase from C.jejuni
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 11C |
| Synchrotron site | PAL/PLS |
| Beamline | 11C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-11-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979415 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.328, 120.148, 58.591 |
| Unit cell angles | 90.00, 105.08, 90.00 |
Refinement procedure
| Resolution | 49.549 - 2.050 |
| R-factor | 0.1673 |
| Rwork | 0.165 |
| R-free | 0.21350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e7s |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.975 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
| Rmerge | 0.138 | 0.083 | 0.452 |
| Rmeas | 0.150 | 0.090 | 0.503 |
| Rpim | 0.057 | 0.034 | 0.217 |
| Total number of observations | 319607 | ||
| Number of reflections | 49505 | 2544 | 2386 |
| <I/σ(I)> | 3.2 | ||
| Completeness [%] | 98.9 | 98.9 | 97.2 |
| Redundancy | 6.5 | 6.8 | 4.8 |
| CC(1/2) | 0.994 | 0.820 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 0.1 M sodium citrate trihydrate pH 5.6, 20% (w/v) polyethylene glycol 4000, 0.1 mM beta-mercaptoethanol, 1mM nicotinamide adenine dinucleotide phosphate (NADP). |
