1R9G
Three-dimensional Structure of YaaE from Bacillus subtilis
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 | 2001-12-13 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.500, 80.870, 115.390 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.500 |
R-factor | 0.244 |
Rwork | 0.240 |
R-free | 0.27940 |
Structure solution method | MAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 * |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 2.640 | |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.050 * | 0.285 * |
Total number of observations | 118186 * | |
Number of reflections | 15377 | |
<I/σ(I)> | 9.4 | 2.6 |
Completeness [%] | 99.8 | 99 |
Redundancy | 7.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 18 * | PEG 8000, HEPES, ethylene glycol, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 18 * | PEG 8000, HEPES, ethylene glycol, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | PEG8000 | 10-12 (%(w/v)) | |
2 | 1 | drop | MOPS | 100 (mM) | pH7.0-7.2 |
3 | 1 | drop | ethylene glycol | 6 (%(v/v)) | |
4 | 1 | drop | protein | 2.5 (mg/ml) | |
5 | 1 | reservoir | dithiothreitol | 2 (mM) |