3CE9
Crystal structure of glycerol dehydrogenase (NP_348253.1) from Clostridium acetobutylicum at 2.37 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-10-26 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.91840, 0.97953, 0.97939 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 102.740, 125.810, 133.230 |
Unit cell angles | 90.00, 102.33, 90.00 |
Refinement procedure
Resolution | 28.940 - 2.370 |
R-factor | 0.189 |
Rwork | 0.188 |
R-free | 0.21400 |
Structure solution method | MAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.330 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.940 | 28.940 | 2.450 |
High resolution limit [Å] | 2.370 | 5.080 | 2.370 |
Rmerge | 0.050 | 0.030 | 0.401 |
Number of reflections | 66387 | 12777 | 11600 |
<I/σ(I)> | 8.2 | 18.5 | 1.8 |
Completeness [%] | 96.9 | 94.5 | 91.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | NANODROP, 0.2M NaCl, 20.0% PEG 3000, 0.1M HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |