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 |