4IP3
Complex structure of OspI and Ubc13
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 | 2012-04-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9785 |
Spacegroup name | P 3 2 1 |
Unit cell lengths | 119.060, 119.060, 69.735 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.020 - 2.300 |
R-factor | 0.214 |
Rwork | 0.210 |
R-free | 0.24800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.232 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.340 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.259 | |
Number of reflections | 25489 | |
<I/σ(I)> | 3.5 | |
Completeness [%] | 99.8 | 100 |
Redundancy | 12.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 298 | 0.2 M Sodium thiocyanate, 20% PEG3350, 0.1 M HEPES pH7.0, VAPOR DIFFUSION, temperature 298K |