4WUV
Crystal Structure of a putative D-Mannonate oxidoreductase from Haemophilus influenza (Avi_5165, TARGET EFI-513796) with bound NAD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-10-15 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9793 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 67.976, 138.382, 115.942 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.084 - 1.551 |
| R-factor | 0.1422 |
| Rwork | 0.141 |
| R-free | 0.17160 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.290 |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 100.000 | 100.000 | 1.580 |
| High resolution limit [Å] | 1.550 | 4.210 | 1.550 |
| Rmerge | 0.098 | 0.034 | 0.893 |
| Total number of observations | 644817 | ||
| Number of reflections | 79010 | ||
| <I/σ(I)> | 9.3 | ||
| Completeness [%] | 99.7 | 95.1 | 100 |
| Redundancy | 8.2 | 7.6 | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | Protein (16.36 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT, 5% Glycerol, 10 mM NAD); Reservoir (0.2 M Lithium Chloride, 20 %(w/v) PEG 3350 ); Cryoprotection (80% Reservoir + 20% Glycerol |
