Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-06-13 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 6 |
Unit cell lengths | 90.531, 90.531, 45.158 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.130 - 1.140 |
R-factor | 0.1339 |
Rwork | 0.133 |
R-free | 0.15260 |
RMSD bond length | 0.027 |
RMSD bond angle | 2.343 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.160 |
High resolution limit [Å] | 1.140 | 3.090 | 1.140 |
Rmerge | 0.052 | 0.036 | 0.366 |
Number of reflections | 76906 | ||
<I/σ(I)> | 13.4 | ||
Completeness [%] | 99.9 | 99.8 | 98.1 |
Redundancy | 7.5 | 12.2 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 2.6M AS, 50mM Tris 8.5, 1mM EDTA, vapor diffusion, hanging drop, temperature 298K |