3QIK
Crystal structure of the first PDZ domain of PREX1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2011-01-11 |
Detector | RIGAKU RAXIS |
Wavelength(s) | 1.5418 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 78.135, 78.135, 54.691 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.285 |
R-factor | 0.244 |
Rwork | 0.242 |
R-free | 0.26910 |
Structure solution method | SAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.190 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.000 | 25.000 | 2.350 |
High resolution limit [Å] | 2.270 | 4.880 | 2.270 |
Rmerge | 0.075 | 0.040 | 0.674 |
Number of reflections | 8971 | ||
<I/σ(I)> | 15.1 | ||
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 10.4 | 9.9 | 10.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 293 | 1.2M lithium sulfate, 0.5M ammonium sulfate, 0.1M sodium citrate, pH 6.2, vapor diffusion, sitting drop, temperature 293K |
1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 293 | 1.2M lithium sulfate, 0.5M ammonium sulfate, 0.1M sodium citrate, pH 6.2, vapor diffusion, sitting drop, temperature 293K |