2QRY
Periplasmic thiamin binding protein
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F2 |
Synchrotron site | CHESS |
Beamline | F2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-05-26 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 69.040, 118.070, 90.330 |
Unit cell angles | 90.00, 93.74, 90.00 |
Refinement procedure
Resolution | 49.390 - 2.250 |
R-factor | 0.2 |
Rwork | 0.198 |
R-free | 0.24100 |
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 | MLPHARE |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.390 | 2.390 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.115 | |
Number of reflections | 61739 | |
<I/σ(I)> | 11.8 | 2.7 |
Completeness [%] | 89.9 | 81.1 |
Redundancy | 2.3 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 295 | 2.0 M (NH4)2SO4, 0.1 M Na citrate, and 0.2 M Na/K tartrate, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K |