Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-11-16 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.978 |
Spacegroup name | P 63 |
Unit cell lengths | 83.052, 83.052, 106.371 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.520 - 2.300 |
R-factor | 0.21655 |
Rwork | 0.214 |
R-free | 0.25988 |
Structure solution method | MIR |
RMSD bond length | 0.016 |
RMSD bond angle | 1.833 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHARP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.360 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 17123 | |
<I/σ(I)> | 23.1 | 3.8 |
Completeness [%] | 92.0 | 61 |
Redundancy | 6.1 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | 100mM MES, 50mM CsCl, 28-32% Jeffamine M-600, VAPOR DIFFUSION, HANGING DROP, temperature 291K |