Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-04-14 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9793 |
Spacegroup name | P 64 |
Unit cell lengths | 94.568, 94.568, 85.825 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.000 - 2.300 |
R-factor | 0.2051 |
Rwork | 0.203 |
R-free | 0.25370 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.414 |
Data reduction software | XDS |
Data scaling software | Aimless (0.1.29) |
Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.280 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.059 | 1.113 |
Rpim | 0.020 | 0.382 |
Total number of observations | 184048 | 17980 |
Number of reflections | 19468 | |
<I/σ(I)> | 27.1 | 2.3 |
Completeness [%] | 99.9 | 100 |
Redundancy | 9.5 | 9.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 20% PEG4000, 10% ISOPROPANOL, 0.1 M HEPES |