5F0V
X-ray crystal structure of a thiolase from Escherichia coli at 1.8 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2014-10-13 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 190.930, 75.310, 147.410 |
Unit cell angles | 90.00, 131.42, 90.00 |
Refinement procedure
Resolution | 35.600 - 1.800 |
R-factor | 0.162 |
Rwork | 0.160 |
R-free | 0.19537 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4e1l |
RMSD bond length | 0.018 |
RMSD bond angle | 1.802 |
Data reduction software | SCALA (2.2.1) |
Data scaling software | SCALA (2.2.1) |
Phasing software | PHASER (2.2.21) |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 35.600 |
High resolution limit [Å] | 1.800 |
Rmerge | 0.140 |
Number of reflections | 135774 |
<I/σ(I)> | 4.3 |
Completeness [%] | 99.0 |
Redundancy | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 295 | 0.2 M Ammonium fluride 20% (w/v) PEG3350 |