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 |
