3SWJ
Crystal structure of Campylobacter jejuni ChuZ
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-31 |
Detector | Mar225 |
Wavelength(s) | 0.9794 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 106.474, 106.698, 52.464 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.407 - 2.409 |
R-factor | 0.2091 |
Rwork | 0.206 |
R-free | 0.25960 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.063 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.9) |
Phasing software | PHASER (2.1.4) |
Refinement software | PHENIX (1.7_650) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 74.978 | 42.895 | 2.530 |
High resolution limit [Å] | 2.400 | 7.590 | 2.400 |
Rmerge | 0.037 | 0.473 | |
Rmeas | 0.042 | 0.527 | |
Rpim | 0.019 | 0.226 | |
Total number of observations | 1740 | 9050 | |
Number of reflections | 11858 | ||
<I/σ(I)> | 12.4 | 23.7 | 3.3 |
Completeness [%] | 99.7 | 93.5 | 99.9 |
Redundancy | 5.3 | 4.5 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 6.5 | 293 | 24% PEG 400, 0.1M MES, 0.1M imidazole, 5mM azide, pH 6.5, microbatch, temperature 293K |