8EYM
CRYSTAL STRUCTURE OF NAGB-II PHOSPHOSUGAR ISOMERASE FROM SHEWANELLA DENITRIFICANS OS217 IN COMPLEX WITH GLUCITOLAMINE-6-PHOSPHATE AND N-ACETYLGLUCOSAMINE-6-PHOSPHATE AT 2.31 A RESOLUTION
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-16 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.5406 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.181, 80.237, 91.508 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.746 - 2.311 |
R-factor | 0.1877 |
Rwork | 0.186 |
R-free | 0.23330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | SdNagBII-GlcNol6P |
RMSD bond length | 0.008 |
RMSD bond angle | 1.056 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.750 | 2.350 |
High resolution limit [Å] | 2.310 | 2.310 |
Rmerge | 0.223 | |
Number of reflections | 22873 | 2757 |
<I/σ(I)> | 36.1 | |
Completeness [%] | 94.4 | |
Redundancy | 4.6 | |
CC(1/2) | 0.945 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 0.2 M MgCl2, 0.25 M Tris-HCl pH 8.5, 30% w/v PEG 4000. Crystals containing GlcNol6P and GlcNAc6P grew in the presence of 1 mM GlcNAc6P and were soaked in the crystallization drop with 1 mM GlcNol6P five minutes before freezing for data collection. |