4GAB
Human AKR1B10 mutant V301L complexed with NADP+ and fidarestat
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-09-17 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 61 |
Unit cell lengths | 89.022, 89.022, 78.220 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 22.498 - 1.597 |
R-factor | 0.1765 |
Rwork | 0.175 |
R-free | 0.19450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zua |
RMSD bond length | 0.008 |
RMSD bond angle | 1.414 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | PHENIX (dev_1278) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.660 |
High resolution limit [Å] | 1.597 | 3.450 | 1.597 |
Rmerge | 0.072 | 0.046 | 0.322 |
Number of reflections | 46665 | ||
<I/σ(I)> | 19.91 | ||
Completeness [%] | 99.9 | 99.4 | 99.8 |
Redundancy | 5.7 | 7.2 | 3.2 |
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 |