Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-07-13 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.8563, 0.9189, 0.9195 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 61.993, 61.993, 208.727 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.419 - 2.588 |
R-factor | 0.2449 |
Rwork | 0.243 |
R-free | 0.28750 |
Structure solution method | MAD |
RMSD bond length | 0.004 |
RMSD bond angle | 0.519 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.670 |
High resolution limit [Å] | 2.580 | 2.580 |
Number of reflections | 7937 | |
<I/σ(I)> | 10.3 | |
Completeness [%] | 98.0 | 98 |
Redundancy | 33 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277.15 | 50mM sodium cacodylate, 10mM magnesium chloride, 5mM cobalt(II) chloride, 1mM spermine, 8% MPD |