1YNP
aldo-keto reductase AKR11C1 from Bacillus halodurans (apo form)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-02-04 |
Detector | MARRESEARCH |
Wavelength(s) | 0.97784, 1.3783 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.669, 86.566, 105.427 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 67.420 - 1.250 |
R-factor | 0.17211 |
Rwork | 0.170 |
R-free | 0.20584 |
Structure solution method | SIRAS |
RMSD bond length | 0.016 |
RMSD bond angle | 1.691 |
Data scaling software | XDS |
Phasing software | SHARP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.710 | 1.300 |
High resolution limit [Å] | 1.250 | 1.250 |
Rmerge | 0.087 | 0.506 |
Number of reflections | 178042 | |
<I/σ(I)> | 10 | 2.7 |
Completeness [%] | 94.4 | 83.4 |
Redundancy | 5.7 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | (NH4)2SO4, Li2SO4, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | (NH4)2SO4, Li2SO4, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | (NH4)2SO4, Li2SO4, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |