3PPI
Crystal structure of 3-hydroxyacyl-CoA dehydrogenase type-2 from Mycobacterium avium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 118.810, 161.150, 65.570 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.146 |
| Rwork | 0.145 |
| R-free | 0.17100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1SO8 modified with CCP4 program chainsaw |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.276 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.090 | 0.491 |
| Number of reflections | 85726 | |
| <I/σ(I)> | 18.69 | 4.5 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 7.2 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 290 | MD PACT screen, condition b6: 100mM MIB buffer pH 9.0, 25% PEG 1500; MYAVA.00554.A.A1 PS00625 AT 44.4MG/ML, VAPOR DIFFUSION, SITTING DROP, temperature 290K |
