6NAL
Crystal Structure of Gram Negative Toxin
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-09 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.95372, 0.97902, 0.97957 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 141.070, 85.430, 102.440 |
Unit cell angles | 90.00, 101.05, 90.00 |
Refinement procedure
Resolution | 43.445 - 2.300 |
R-factor | 0.1901 |
Rwork | 0.188 |
R-free | 0.23820 |
Structure solution method | MAD |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | Auto-Rickshaw |
Refinement software | PHENIX (1.14_3247) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.980 | 44.980 | 2.250 |
High resolution limit [Å] | 2.200 | 9.830 | 2.200 |
Rmerge | 0.310 | 0.119 | 2.589 |
Rmeas | 0.314 | 0.121 | 2.777 |
Rpim | 0.049 | 0.018 | 1.001 |
Total number of observations | 2147128 | ||
Number of reflections | 61001 | 726 | 4489 |
<I/σ(I)> | 11.4 | ||
Completeness [%] | 100.0 | 99.1 | 100 |
Redundancy | 35.2 | 42.9 | 7.6 |
CC(1/2) | 0.997 | 0.998 | 0.358 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 294 | PEG 6000, 10% Tacsimate pH 5.0 |