5ZJB
Structure of N-acetylmannosamine-6-phosphate-2-epimerase from Vibrio cholerae
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) | 0.9876 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.325, 70.417, 150.399 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.600 - 1.699 |
| R-factor | 0.1805 |
| Rwork | 0.179 |
| R-free | 0.21300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3igs |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.741 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.27) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155: ???) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.330 | 49.330 | 1.730 |
| High resolution limit [Å] | 1.700 | 8.990 | 1.700 |
| Rmerge | 0.089 | 0.048 | 0.417 |
| Rmeas | 0.097 | 0.053 | 0.473 |
| Rpim | 0.038 | 0.023 | 0.217 |
| Total number of observations | 365016 | 2480 | 13639 |
| Number of reflections | 58571 | 480 | 2962 |
| <I/σ(I)> | 15.2 | 28.1 | 3.7 |
| Completeness [%] | 99.8 | 98.7 | 97 |
| Redundancy | 6.2 | 5.2 | 4.6 |
| CC(1/2) | 0.998 | 0.997 | 0.913 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 0.2M Malonate,20% Peg 3350,pH 5.0 +1M Malonate pH 7.0 |
