8FDB
CRYSTAL STRUCTURE OF NAGB-II PHOSPHOSUGAR ISOMERASE FROM Shewanella denitrificans OS217 IN COMPLEX WITH GLUCITOLAMINE-6-PHOSPHATE AT 3.06 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 | 2018-09-17 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.5419 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 71.885, 113.142, 171.008 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.950 - 3.060 |
R-factor | 0.2089 |
Rwork | 0.206 |
R-free | 0.24150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | BALBES |
RMSD bond length | 0.006 |
RMSD bond angle | 1.184 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | BALBES |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.480 | 3.270 |
High resolution limit [Å] | 3.000 | 3.060 |
Rmerge | 0.165 | 0.389 |
Rpim | 0.250 | |
Number of reflections | 14320 | 2383 |
<I/σ(I)> | 9.8 | 3 |
Completeness [%] | 99.7 | 99.7 |
Redundancy | 5 | 3.2 |
CC(1/2) | 0.794 | 0.890 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 50mM Tris-HCl, pH 8.5, with 1mM 2-deoxi-2-amino glucitol 6-phosphate (GlcNol6P) |