4GA8
Human AKR1B10 mutant V301L complexed with NADP+ and sorbinil
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-12-16 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 61 |
Unit cell lengths | 89.300, 89.300, 78.155 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 24.481 - 1.942 |
R-factor | 0.1538 |
Rwork | 0.151 |
R-free | 0.20600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zua |
RMSD bond length | 0.007 |
RMSD bond angle | 1.276 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.020 |
High resolution limit [Å] | 1.942 | 4.200 | 1.942 |
Rmerge | 0.075 | 0.039 | 0.460 |
Number of reflections | 26168 | ||
<I/σ(I)> | 11.2 | ||
Completeness [%] | 99.9 | 99.2 | 99.9 |
Redundancy | 6.6 | 7.8 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 30% PEG 6000, 100 mM SODIUM CACODYLATE, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |