2HJ0
Crystal Structure of the Putative Alfa Subunit of Citrate Lyase in Complex with Citrate from Streptococcus mutans, Northeast Structural Genomics Target SmR12 .
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-06-13 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97899 |
| Spacegroup name | P 31 |
| Unit cell lengths | 130.871, 130.871, 57.802 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 26.440 - 2.700 |
| R-factor | 0.224 |
| Rwork | 0.224 |
| R-free | 0.26600 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SnB |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.440 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.168 | 0.593 |
| Number of reflections | 60903 | |
| <I/σ(I)> | 12.53 | 4 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 5.8 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 100mM HEPES, 10% PEG20k, 5mM citrate, and 5mM DTT, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
