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 | 2013-01-01 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.45104,1.48491,1.48582 |
Spacegroup name | P 32 1 2 |
Unit cell lengths | 48.291, 48.291, 83.356 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 23.192 - 1.751 |
R-factor | 0.2103 |
Rwork | 0.207 |
R-free | 0.23790 |
Structure solution method | MAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.088 |
Data scaling software | HKL-2000 |
Phasing software | SHELX |
Refinement software | PHENIX (1.10.1-2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 1.810 |
High resolution limit [Å] | 1.750 | 3.770 | 1.750 |
Rmerge | 0.050 | 0.041 | 0.364 |
Number of reflections | 21692 | ||
<I/σ(I)> | 28.2 | ||
Completeness [%] | 99.6 | 99.2 | 96.5 |
Redundancy | 10.1 | 10.4 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 1.0 mM single stranded-DNA, 2.0 mM Chromomycin A3, 4mM NiSO4 6H2O, 50 mM sodium-cacodylate buffer, 5 mM MgCl2, 1 mM spermine, 3 % MPD |