4YAK
Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 in complex with coenzyme A, acetyl-coenzyme A and with phosphorylated phosphohistidine segment (site I orientation)
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 | DECTRIS PILATUS 6M |
Wavelength(s) | 0.980 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 106.410, 111.690, 125.970 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 83.571 - 2.464 |
R-factor | 0.1958 |
Rwork | 0.194 |
R-free | 0.23820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2CSU and 1WR2 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.880 |
Data reduction software | XDS (July 4, 2012) |
Data scaling software | XSCALE (November 3, 2014) |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 83.571 | 2.530 |
High resolution limit [Å] | 2.460 | 2.460 |
Rmerge | 0.222 | 3.423 |
Number of reflections | 54078 | |
<I/σ(I)> | 9.7 | 0.6 |
Completeness [%] | 98.1 | 77.3 |
Redundancy | 10.9 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 278 | 100 mM Tris/HCl pH 8.7, 14% (w/v) PEG6000, 10 mM Na2HPO4, 5 mM NaOAc | |
1 | VAPOR DIFFUSION, HANGING DROP | 278 | 100 mM Tris/HCl pH 8.7, 14% (w/v) PEG6000, 10 mM Na2HPO4, 5 mM NaOAc |