5JYD
Crystal Structure of a Putative Short Chain Dehydrogenase from Burkholderia cenocepacia
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-08-14 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 86.800, 107.820, 117.690 |
Unit cell angles | 90.00, 97.63, 90.00 |
Refinement procedure
Resolution | 48.937 - 1.650 |
R-factor | 0.1425 |
Rwork | 0.141 |
R-free | 0.17410 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.022 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.690 | |
High resolution limit [Å] | 1.650 | 7.380 | 1.650 |
Rmerge | 0.063 | 0.027 | 0.469 |
Number of reflections | 255624 | ||
<I/σ(I)> | 11.74 | 29.42 | 2.38 |
Completeness [%] | 99.3 | 94.3 | 99.8 |
Redundancy | 3.15 | ||
CC(1/2) | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 290 | BuceA.00010.v.B2.PS01749 at 26.4 mg/ml in 20 mM Hepes pH 7.0, 0.3M NaCl, 5% Glycerol, 1 mM TCEP mixed 1:1 with MCSG1E(E07): 20% PEG-3350,0.2 M Ammonium Iodide.MCSG1E: batch of MCSG1 screens delivered from production core was missing 2 wells. Cryoprotected with 15%EG |