4RF2
Crystal structure of NADP+ bound ketoreductase from Lactobacillus kefir
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-09-13 |
Detector | RIGAKU RAXIS HTC |
Wavelength(s) | 1.5418 |
Spacegroup name | P 4 21 2 |
Unit cell lengths | 164.130, 164.130, 85.420 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 75.772 - 2.089 |
R-factor | 0.2193 |
Rwork | 0.218 |
R-free | 0.23880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1nxq |
RMSD bond length | 0.002 |
RMSD bond angle | 0.682 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.5.2) |
Refinement software | PHENIX (dev_1555) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 75.800 | 75.800 | 2.140 |
High resolution limit [Å] | 2.089 | 9.340 | 2.089 |
Rmerge | 0.171 | 0.068 | 0.793 |
Number of reflections | 68781 | 906 | 4405 |
<I/σ(I)> | 14.57 | 33.89 | 4.56 |
Completeness [%] | 99.0 | 98.8 | 87.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 64 mM ammonium acetate, 0.1 M Bis-Tris, pH 5.5, 10% PEG10000, VAPOR DIFFUSION, HANGING DROP, temperature 298K |