3CV1
Atomic Resolution Structures of Escherichia coli and Bacillis anthracis Malate Synthase A: Comparison with Isoform G and Implications for Structure Based Drug Design
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-10-06 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.031, 74.124, 71.917 |
Unit cell angles | 90.00, 97.82, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.680 |
R-factor | 0.17806 |
Rwork | 0.176 |
R-free | 0.20857 |
Structure solution method | SIRAS |
RMSD bond length | 0.013 |
RMSD bond angle | 1.223 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELXS |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.740 |
High resolution limit [Å] | 1.680 | 1.680 |
Number of reflections | 59002 | |
Completeness [%] | 96.9 | 97.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1M Tris pH 7.5, 0.2M calcium acetate, 22% PEG 8K, VAPOR DIFFUSION, HANGING DROP, temperature 298K |