2POZ
Crystal structure of a putative dehydratase from Mesorhizobium loti
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 | 2007-04-15 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97950 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 92.269, 189.825, 192.579 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.940 - 2.040 |
R-factor | 0.202 |
Rwork | 0.202 |
R-free | 0.23700 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXD |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.110 |
High resolution limit [Å] | 2.040 | 2.040 |
Rmerge | 0.086 | 0.311 |
Number of reflections | 200694 | |
<I/σ(I)> | 15.2 | 1 |
Completeness [%] | 93.8 | 75 |
Redundancy | 10.4 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1M HEPES pH 7.5, 0.2M Ammonium acetate, 25% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 298K |