3WZ5
Structure of the periplasmic domain of DotI (crystal form II)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 35 |
Detector technology | CCD |
Collection date | 2010-11-01 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.97923 |
Spacegroup name | I 4 3 2 |
Unit cell lengths | 230.328, 230.328, 230.328 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 72.836 - 3.500 |
R-factor | 0.1812 |
Rwork | 0.179 |
R-free | 0.21550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3wz4 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.735 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 81.400 | 3.690 |
High resolution limit [Å] | 3.500 | 3.500 |
Rmerge | 0.125 | 0.242 |
Number of reflections | 13479 | |
<I/σ(I)> | 16.7 | 10.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 11.5 | 11.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.1M HEPES pH7.5, 0.2M NaCl, 40% PEG 300, VAPOR DIFFUSION, SITTING DROP, temperature 277K |