4N5F
Crystal Structure of a Putative acyl-CoA dehydrogenase with bound FADH2 from Burkholderia cenocepacia J2315
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 | 2013-07-01 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9786 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 97.470, 97.470, 168.950 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.770 - 2.200 |
R-factor | 0.183 |
Rwork | 0.181 |
R-free | 0.22370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jqi |
RMSD bond length | 0.012 |
RMSD bond angle | 1.479 |
Data scaling software | XSCALE |
Phasing software | PHASER (2.5.2) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.260 | |
High resolution limit [Å] | 2.200 | 9.840 | 2.200 |
Rmerge | 0.063 | 0.028 | 0.562 |
Number of reflections | 41958 | 513 | 3058 |
<I/σ(I)> | 19.57 | 43.3 | 3.68 |
Completeness [%] | 99.6 | 91.4 | 99.6 |
Redundancy | 8.05 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | JCSG+(d10): 40% PEG-300, 100mM Sodium Cacodylate/HCl, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |