5C5Z
Crystal structure analysis of c4763, a uropathogenic E. coli-specific protein
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-1A |
Synchrotron site | Photon Factory |
Beamline | BL-1A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2010-12-11 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 0.97883, 0.97923, 0.96000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.628, 66.364, 69.873 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.721 - 1.450 |
R-factor | 0.1887 |
Rwork | 0.188 |
R-free | 0.20460 |
Structure solution method | MAD |
RMSD bond length | 0.006 |
RMSD bond angle | 1.084 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX (1.8.1) |
Refinement software | PHENIX (1.8.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 1.500 |
High resolution limit [Å] | 1.450 | 3.120 | 1.450 |
Rmerge | 0.078 | 0.050 | 0.446 |
Total number of observations | 697928 | ||
Number of reflections | 48241 | ||
<I/σ(I)> | 14.3 | ||
Completeness [%] | 99.9 | 99.5 | 100 |
Redundancy | 14.5 | 13.8 | 14.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 6.2 | 295 | PEG 400, NaCl |