4W9U
Crystal Structure of an Acyl-CoA dehydrogenase from Brucella melitensis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-05-30 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 82.020, 106.660, 99.390 |
Unit cell angles | 90.00, 108.12, 90.00 |
Refinement procedure
Resolution | 47.230 - 2.400 |
R-factor | 0.1827 |
Rwork | 0.180 |
R-free | 0.23930 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.173 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | BALBES |
Refinement software | PHENIX ((phenix.refine: dev_1769)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.460 | |
High resolution limit [Å] | 2.400 | 10.730 | 2.400 |
Rmerge | 0.080 | 0.024 | 0.557 |
Rmeas | 0.091 | 0.027 | 0.629 |
Total number of observations | 288458 | ||
Number of reflections | 63306 | 742 | 4665 |
<I/σ(I)> | 13.88 | 42.12 | 2.51 |
Completeness [%] | 99.4 | 98.1 | 99.9 |
Redundancy | 4.6 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | JCSG(D2): 30% PEG-400, 100mM HEPES free acid/ NaOH, 200mM MgCl2 |