4HDN
Crystal Structure of ArsAB in the Substrate-Free State.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-12-11 |
Detector | ADSC QUANTUM 210r |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.325, 78.041, 151.826 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.240 |
R-factor | 0.209 |
Rwork | 0.205 |
R-free | 0.28300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.718 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.280 |
High resolution limit [Å] | 2.240 | 2.240 |
Rmerge | 0.059 | 0.548 |
Number of reflections | 30131 | |
<I/σ(I)> | 17.8 | |
Completeness [%] | 99.4 | 88.8 |
Redundancy | 11.7 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 298 | 12.5% MEPEG 5000, 100 mM MOPS, 20 mM NaCl, 10 mM phloroglucinol, 12% ethylene glycol , pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K |