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 |
