3IV7
Crystal structure of Iron-containing alcohol dehydrogenase (NP_602249.1) from Corynebacterium glutamicum ATCC 13032 KITASATO at 2.07 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-04-16 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.728, 79.003, 160.185 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.880 - 2.070 |
R-factor | 0.173 |
Rwork | 0.171 |
R-free | 0.22100 |
Structure solution method | SAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.120 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0053) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.880 | 28.880 | 2.140 |
High resolution limit [Å] | 2.070 | 4.440 | 2.070 |
Rmerge | 0.034 | 0.015 | 0.311 |
Number of reflections | 45653 | 8127 | 8299 |
<I/σ(I)> | 14.29 | 41.6 | 2.3 |
Completeness [%] | 97.6 | 90.9 | 99.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 1.0000M LiCl, 20.0000% PEG-6000, 0.1M HEPES pH 7.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |