Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL15A1 |
Synchrotron site | NSRRC |
Beamline | BL15A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-10-18 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 1.60572, 1.56518, 1.60490 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 38.299, 38.299, 54.328 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 12.444 - 1.660 |
R-factor | 0.235638826004 |
Rwork | 0.233 |
R-free | 0.25530 |
Structure solution method | MAD |
RMSD bond length | 0.006 |
RMSD bond angle | 0.692 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXS |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.720 |
High resolution limit [Å] | 1.660 | 1.660 |
Rmerge | 0.048 | 0.272 |
Number of reflections | 3447 | 632 |
<I/σ(I)> | 41.724 | |
Completeness [%] | 96.1 | |
Redundancy | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277.15 | 50mM Sodium cacodylate, 1mM Magnesium chloride, 5% MPD, 2mM Cobalt(II) chloride, 1mM Chromomycin A3 |