1Z9A
Crystal Structure Of The Asn-309 To Asp Mutant Of Candida Tenuis Xylose Reductase (Akr2B5) Bound To Nad+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-01-28 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 180.635, 128.401, 80.004 |
Unit cell angles | 90.00, 90.70, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.400 |
R-factor | 0.176 |
Rwork | 0.176 |
R-free | 0.23100 |
Structure solution method | isomorphous |
Starting model (for MR) | candida tenuis xylose reductase bound to nad |
RMSD bond length | 0.007 |
RMSD bond angle | 1.352 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.084 | 0.196 |
Number of reflections | 64303 | |
<I/σ(I)> | 8.17 | 3.2 |
Completeness [%] | 90.2 | 82.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 298 | ammonium sulfate, sodium acetate, sodium citrate, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |