3CUX
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 | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-05-06 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 97.865, 52.036, 89.107 |
| Unit cell angles | 90.00, 98.90, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.700 |
| R-factor | 0.20246 |
| Rwork | 0.201 |
| R-free | 0.23536 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Escherichia coli malate synthase isoform A |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.630 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 43852 | |
| Completeness [%] | 89.9 | 62.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 0.2M sodium citrate, 0.1M Tris pH8.0, 30% PEG 1550, 30mM nickel chloride, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
