5U4Q
1.5 Angstrom Resolution Crystal Structure of NAD-Dependent Epimerase from Klebsiella pneumoniae in Complex with NAD.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-04-27 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 60.239, 55.845, 97.318 |
Unit cell angles | 90.00, 93.21, 90.00 |
Refinement procedure
Resolution | 29.210 - 1.500 |
R-factor | 0.18189 |
Rwork | 0.180 |
R-free | 0.21140 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.444 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.071 | 0.629 |
Number of reflections | 102114 | |
<I/σ(I)> | 24.8 | 2.3 |
Completeness [%] | 99.9 | 100 |
Redundancy | 4.3 | 4.2 |
CC(1/2) | 0.800 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 295 | Protein: 7.6 mg/ml, 0.5M Sodium chloride, 0.01M Tris HCl (pH 8.3); Screen: PEGs II (E10), 0.2M Ammonium sulfate, 20% (w/v) PEG 4000. |