3STP
Crystal structure of a putative galactonate dehydratase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 135.244, 135.244, 116.734 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.880 |
| R-factor | 0.179 |
| Rwork | 0.166 |
| R-free | 0.18510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3sqs |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.910 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.106 | 0.155 |
| Number of reflections | 44115 | |
| <I/σ(I)> | 15.8 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 29.1 | 28.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 273 | 0.5M magnesium formate, 0.1M BisTris, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 273K |
