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 |
