3A8N
Crystal structure of the Tiam1 PHCCEx domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 113.470, 113.470, 113.837 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.250 - 4.500 |
R-factor | 0.306 |
Rwork | 0.306 |
R-free | 0.39600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3a8p |
RMSD bond length | 0.009 |
RMSD bond angle | 1.700 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 4.660 |
High resolution limit [Å] | 4.500 | 4.500 |
Rmerge | 0.682 | |
Number of reflections | 2824 | |
<I/σ(I)> | 2.5 | |
Completeness [%] | 98.7 | 96.7 |
Redundancy | 10.9 | 8.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 4% Jeffamine M-600, 10mM Ferric chloride, 1.5% Glycerol, 100mM Sodium citrate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |