1KK9
CRYSTAL STRUCTURE OF E. COLI YCIO
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X8C |
Synchrotron site | NSLS |
Beamline | X8C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-07-02 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97921,0.97942,0.95369 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.400, 68.770, 94.770 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.100 |
Rwork | 0.213 |
R-free | 0.22900 * |
Structure solution method | MAD |
RMSD bond length | 0.005 * |
RMSD bond angle | 1.300 * |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.068 * | 0.422 * |
Total number of observations | 205748 * | |
Number of reflections | 19133 * | |
<I/σ(I)> | 10.4 | |
Completeness [%] | 99.9 | 99.9 * |
Redundancy | 10.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 298 | PEG 3350, MES, magnesium acetate, ethylene glycol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 15 (mg/ml) | |
2 | 1 | drop | Tris | 20 (mM) | pH7.5 |
3 | 1 | drop | ammonium sulfate | 40 (mM) | |
4 | 1 | drop | 60 (mM) | ||
5 | 1 | drop | 2-mercaptoethanol | 5 (mM) | |
6 | 1 | reservoir | PEG3350 | 10 (%(w/v)) | |
7 | 1 | reservoir | MES | 0.1 (M) | pH6.5 |
8 | 1 | reservoir | 0.1 (M) | ||
9 | 1 | reservoir | ethylene glycol | 5 (%(v/v)) |