4Y8V
Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 in complex with ADP and additional ADP bound to phosphate binding site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-04-18 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.980 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 106.470, 110.990, 126.720 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.211 - 2.099 |
R-factor | 0.1865 |
Rwork | 0.184 |
R-free | 0.22550 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.921 |
Data reduction software | XDS (July 4, 2012) |
Data scaling software | XSCALE (November 3, 2014) |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.211 | 2.140 |
High resolution limit [Å] | 2.099 | 2.100 |
Rmerge | 0.167 | 1.242 |
Number of reflections | 86108 | |
<I/σ(I)> | 10.1 | 1.1 |
Completeness [%] | 97.6 | 77.9 |
Redundancy | 6.4 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 278 | 100 mM Tris/HCl pH8.3, 16% (w/v) PEG6000 |