3P4T
Crystal structure of a putative acyl-CoA dehydrogenase from Mycobacterium smegmatis
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 | 2010-06-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 161.930, 64.750, 83.810 |
| Unit cell angles | 90.00, 112.04, 90.00 |
Refinement procedure
| Resolution | 19.820 - 1.700 |
| R-factor | 0.155 |
| Rwork | 0.153 |
| R-free | 0.18500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3oib |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.563 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.740 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.041 | 0.209 |
| Number of reflections | 85434 | |
| <I/σ(I)> | 20.68 | 5.7 |
| Completeness [%] | 96.4 | 93.9 |
| Redundancy | 4.3 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 290 | EBS PACT SCEEN F12: 0.2M Sodium malonate, 0.1M Bis Tris propane pH 6.5; MYSMA.00247.B.A1 PW28486 at 27mg/ml, ph 6.5, vapor diffusion, sitting drop, temperature 290K, VAPOR DIFFUSION, SITTING DROP |
