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 |