Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-04-12 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | H 3 2 |
Unit cell lengths | 160.948, 160.948, 256.532 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 31.750 - 3.000 |
R-factor | 0.21404 |
Rwork | 0.210 |
R-free | 0.28624 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3QB6 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.449 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.050 |
High resolution limit [Å] | 3.000 | 8.130 | 3.000 |
Rmerge | 0.132 | 0.063 | 0.335 |
Number of reflections | 24612 | ||
<I/σ(I)> | 7.2 | ||
Completeness [%] | 95.2 | 90.8 | 97.8 |
Redundancy | 5.9 | 4.9 | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 278 | 50-75 mM Potassium Maleate Buffer pH 7.0-8.0, 1 mM dithiothreitol, 38-46% Ammonium Sulfate, 1-3.5% PEG 1000 or PEG 1450, vapor diffusion, hanging drop, temperature 278K |