4P5F
The crystal structure of type III effector protein XopQ complexed with adenosine diphosphate ribose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-10-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9793 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.999, 73.808, 201.943 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.303 - 2.100 |
R-factor | 0.204 |
Rwork | 0.202 |
R-free | 0.25310 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.116 |
Data scaling software | SCALEPACK |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.180 |
High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
Rmerge | 0.153 | 0.076 | 0.856 |
Total number of observations | 543348 | ||
Number of reflections | 42892 | ||
<I/σ(I)> | 5.6 | ||
Completeness [%] | 99.8 | 99.7 | 100 |
Redundancy | 12.7 | 12.7 | 12.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295.15 | 8.5% (w/v) PEG 1000, 8.5% (w/v) PEG 8000, 15% (v/v) glycerol, 10 mM CaCl2 |