3SWO
Crystal structure of a glutaryl-coa dehydrogenase from mycobacterium smegmatis in complex with FADH2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-06-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97740 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 149.670, 66.870, 167.460 |
Unit cell angles | 90.00, 107.71, 90.00 |
Refinement procedure
Resolution | 45.480 - 1.450 |
R-factor | 0.128 |
Rwork | 0.127 |
R-free | 0.15000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2eba modified with CCP4 program CHAINSAW |
RMSD bond length | 0.014 |
RMSD bond angle | 1.510 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.490 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.039 | 0.309 |
Number of reflections | 276750 | |
<I/σ(I)> | 21.69 | 3.2 |
Completeness [%] | 99.3 | 93.9 |
Redundancy | 3.6 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | 20% PEG 3350, 200MM POTASSIUM CITRATE TRIBASIC; MYSMA.01640.BA1, PW28880 AT 30.7 MG/ML; ADD 15% EG TO RESERVOIR FOR CRYO, PH N/A, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K |