2A6S
Crystal structure of YoeB under isopropanol condition
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-05-28 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.00000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 28.974, 60.989, 98.560 |
Unit cell angles | 90.00, 98.03, 90.00 |
Refinement procedure
Resolution | 19.960 - 1.770 |
R-factor | 0.196 |
Rwork | 0.195 |
R-free | 0.22300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | extracted from YoeB structure from 2A6Q |
RMSD bond length | 0.004 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.800 | 1.830 |
High resolution limit [Å] | 1.770 | 1.770 |
Number of reflections | 33168 | |
<I/σ(I)> | 42.01 | |
Completeness [%] | 99.7 | 97.5 |
Redundancy | 7.4 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277.2 | Tris-HCl, CH3COONH4, isopropanol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.2K |