3T3W
Crystal structure of probable enoyl-COA hydratase from mycobacterium thermoresistibile
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 | 2011-04-15 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97740 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 124.240, 124.240, 212.250 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.220 - 1.800 |
R-factor | 0.14 |
Rwork | 0.139 |
R-free | 0.16500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB deposition 3ome modified with CCP4 program CHAINSAW search was done with 3ome hexamer |
RMSD bond length | 0.014 |
RMSD bond angle | 1.579 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.850 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.088 | 0.538 |
Number of reflections | 153457 | |
<I/σ(I)> | 34.73 | 5 |
Completeness [%] | 100.0 | 99.7 |
Redundancy | 24.2 | 13.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 290 | MD PACT SCREEN F3: 200MM NAI, 100MM BISTRISPROPANE PH 6.5, 20% PEG 3350; MYTHA.00358.B.A1 PS00659 AT 18MG/ML, PH N/A, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K |