4GKB
Crystal structure of a short chain dehydrogenase homolog (target efi-505321) from burkholderia multivorans, unliganded structure
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-07-09 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.9793 |
Spacegroup name | P 61 |
Unit cell lengths | 99.960, 99.960, 205.801 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 22.873 - 1.500 |
R-factor | 0.1524 |
Rwork | 0.151 |
R-free | 0.17190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yde |
RMSD bond length | 0.007 |
RMSD bond angle | 1.087 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.16) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 86.567 | 22.873 | 1.580 |
High resolution limit [Å] | 1.500 | 4.740 | 1.500 |
Rmerge | 0.110 | 0.043 | 0.836 |
Total number of observations | 66986 | 250791 | |
Number of reflections | 185302 | ||
<I/σ(I)> | 10.8 | 13.7 | 0.9 |
Completeness [%] | 100.0 | 99.1 | 100 |
Redundancy | 8.9 | 11.4 | 9.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | sitting drop vapor diffusion | 7.5 | 298 | Protein (50 mM Hepes pH 7.5; Reservoir (0.2 M Calcium Acetate 0.1 M HEPES:NaOH pH 7.5 10% (w/v) PEG 8000); Cryoprotection (Reservoir, + 20% Ethylene glycol), sitting drop vapor diffusion, temperature 298K |