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) |
