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 |