Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-05-22 |
Detector | RIGAKU SATURN A200 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 52.668, 52.668, 82.476 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.240 - 1.570 |
R-factor | 0.176 |
Rwork | 0.175 |
R-free | 0.20600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ysf |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.240 | 37.240 | 1.600 |
High resolution limit [Å] | 1.570 | 8.610 | 1.570 |
Rmerge | 0.042 | 0.018 | 0.497 |
Rmeas | 0.043 | 0.019 | 0.518 |
Rpim | 0.012 | 0.006 | 0.144 |
Total number of observations | 223544 | 1269 | 10285 |
Number of reflections | 16849 | ||
<I/σ(I)> | 42.7 | 103.8 | 5.8 |
Completeness [%] | 100.0 | 99.1 | 99.7 |
Redundancy | 13.3 | 9.1 | 12.6 |
CC(1/2) | 1.000 | 1.000 | 0.958 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 2 M sodium formate, 0.1 M Tris, pH 8.5 |