2R3U
Crystal structure of the PDZ deletion mutant of DegS
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-09-02 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 113.847, 66.223, 84.508 |
Unit cell angles | 90.00, 95.68, 90.00 |
Refinement procedure
Resolution | 15.000 - 2.600 |
R-factor | 0.205 |
Rwork | 0.198 |
R-free | 0.26700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | protease domain of pdb entry 1sot |
RMSD bond length | 0.006 |
RMSD bond angle | 1.360 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.700 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.084 | 0.256 |
Number of reflections | 18520 | |
<I/σ(I)> | 9.8 | 2.5 |
Completeness [%] | 96.0 | 85.5 |
Redundancy | 2.7 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 292 | Crystals of DegS PDZ appeared after two days in 28% PEG400, 0.1 M HEPES (pH7.5) and 0.2 M Li-sulfate after mixing 200 nl protein with 100 nl precipitant. , VAPOR DIFFUSION, SITTING DROP, temperature 292K |