Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-11-11 |
Detector | RIGAKU SATURN 70 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 68.339, 68.339, 178.397 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.530 - 1.950 |
Rwork | 0.210 |
R-free | 0.23740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xpv |
RMSD bond length | 0.014 |
RMSD bond angle | 1.964 |
Data reduction software | CrystalClear |
Data scaling software | CrystalClear |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.500 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.143 | 0.639 |
Number of reflections | 31779 | 2855 |
<I/σ(I)> | 7.1 | 1.4 |
Completeness [%] | 97.9 | 92.4 |
Redundancy | 7.33 | 4.52 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | Native crystal soaked in 1M (NH4)2SO4, 0.2M NaCl, 0.05M Tris/HCl, pH 7.0, 0.142 mM TigeTC, 2mM MgCl2, 14hours. |