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 |
Collection date | 2012-07-04 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 87.280, 89.906, 164.829 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.440 - 2.200 |
R-factor | 0.1779 |
Rwork | 0.175 |
R-free | 0.22990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dhs |
RMSD bond length | 0.007 |
RMSD bond angle | 0.931 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.18_3855) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.110 | 0.479 |
Number of reflections | 66513 | 6550 |
<I/σ(I)> | 29.1 | |
Completeness [%] | 100.0 | |
Redundancy | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.8 | 293 | 100 mM Phosphate-citrate pH4.8, 32% ethanol, 5% PEG 1000 |