2AFA
Crystal Structure of putative NAG isomerase from Salmonella typhimurium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-10-19 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 |
Unit cell lengths | 88.933, 91.140, 95.102 |
Unit cell angles | 106.81, 103.52, 111.79 |
Refinement procedure
Resolution | 45.770 - 2.150 |
R-factor | 0.207 |
Rwork | 0.207 |
R-free | 0.24600 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
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 | 2.230 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.080 | 0.750 |
Number of reflections | 132272 | |
<I/σ(I)> | 12 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.4 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 273 | PEG, sodium cacodylate, sodium acetate , pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 273K |