2C6X
Structure of Bacillus subtilis citrate synthase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2002-03-12 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.504, 185.563, 82.563 |
Unit cell angles | 90.00, 106.62, 90.00 |
Refinement procedure
Resolution | 29.810 - 3.400 |
R-factor | 0.284 |
Rwork | 0.284 |
R-free | 0.31600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1a59 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.800 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.800 | 3.520 |
High resolution limit [Å] | 3.400 | 3.400 |
Rmerge | 0.130 | 0.370 |
Number of reflections | 20446 | |
<I/σ(I)> | 4.72 | 2.17 |
Completeness [%] | 96.4 | 91.3 |
Redundancy | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 0.1M LI2SO4, 0.1M TRIS PH8.0, 30%PEG4K, pH 8.00 |