5YQ0
Crystal structure of secreted protein CofJ from ETEC.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-11-19 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.98000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 142.208, 147.540, 149.306 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.228 - 1.760 |
R-factor | 0.1833 |
Rwork | 0.180 |
R-free | 0.21150 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 0.955 |
Data reduction software | XDS |
Data scaling software | Aimless (0.2.8) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.230 | 49.230 | 1.790 |
High resolution limit [Å] | 1.760 | 9.640 | 1.760 |
Rmerge | 0.126 | 0.048 | 2.016 |
Rmeas | 0.135 | 0.052 | 2.164 |
Rpim | 0.049 | 0.020 | 0.783 |
Total number of observations | 2325718 | 14033 | 109819 |
Number of reflections | 307221 | 2091 | 14749 |
<I/σ(I)> | 10.6 | 28.6 | 1.3 |
Completeness [%] | 99.5 | 99.4 | 97.6 |
Redundancy | 7.6 | 6.7 | 7.4 |
CC(1/2) | 0.998 | 0.996 | 0.521 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 100mM Tris-HCl pH 7.0, 14% PEG3350, 200mM CaCl2 |