5ZJN
Structure of N-acetylmannosamine-6-phosphate-2-epimerase from Vibrio cholerae with N-acetylmannosamine-6-phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-09-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.978570 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.959, 70.653, 149.362 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.945 - 2.660 |
| R-factor | 0.2327 |
| Rwork | 0.230 |
| R-free | 0.28070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.935 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.790 | 49.790 | 2.790 |
| High resolution limit [Å] | 2.660 | 8.820 | 2.660 |
| Rmerge | 0.138 | 0.057 | 0.493 |
| Rmeas | 0.152 | 0.064 | 0.545 |
| Rpim | 0.062 | 0.027 | 0.230 |
| Total number of observations | 89562 | 2613 | 10022 |
| Number of reflections | 15416 | 499 | 1900 |
| <I/σ(I)> | 8.7 | 18.8 | 2.4 |
| Completeness [%] | 99.1 | 99.2 | 94.3 |
| Redundancy | 5.8 | 5.2 | 5.3 |
| CC(1/2) | 0.993 | 0.995 | 0.892 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 0.2M Malonate, pH 5.0, 20% PEG3350, 1M malonate pH 7.0 |
