3RD7
Crystal structure of acyl-coa thioesterase from mycobacterium avium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-08-20 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.750, 62.800, 82.220 |
| Unit cell angles | 90.00, 99.92, 90.00 |
Refinement procedure
| Resolution | 36.050 - 1.950 |
| R-factor | 0.166 |
| Rwork | 0.164 |
| R-free | 0.19800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | pdb deposition 1c8u modified with ccp4 program chainsaw |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.464 |
| 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 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.060 | 0.361 |
| Number of reflections | 42081 | |
| <I/σ(I)> | 22.15 | 3.8 |
| Completeness [%] | 99.1 | 94.3 |
| Redundancy | 6.3 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 290 | 10MMM HEPES PH 7.0, 35% PEG 3350; MYAVA.00458.A.A1 PS00622 AT 60MG/ML, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K |
