3Q3C
Crystal structure of a serine dehydrogenase from Pseudomonas aeruginosa pao1 in complex with NAD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-01-01 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97921 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 92.724, 92.724, 126.481 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.391 - 2.299 |
R-factor | 0.1945 |
Rwork | 0.191 |
R-free | 0.26240 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.328 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 (ShelxC) |
Refinement software | PHENIX ((phenix.refine: 1.6_289)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.096 | 0.743 |
Number of reflections | 14802 | |
<I/σ(I)> | 48.7 | 2.2 |
Completeness [%] | 99.2 | 94 |
Redundancy | 15.16 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 294 | 4 M Ammonium Acetate, 0.1 M sodium acetate pH 4.6 cryoprotected with 12% ethylene glycol and soaked with 10 mM NAD, VAPOR DIFFUSION, HANGING DROP, temperature 294K |