5HBR
Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 in complex with phosphate and coenzyme A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-06-28 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.984 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 106.118, 110.710, 126.027 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 81.174 - 1.995 |
R-factor | 0.1806 |
Rwork | 0.178 |
R-free | 0.22220 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.047 |
Data reduction software | XDS (November 3, 2014) |
Data scaling software | Aimless (0.3.11) |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 126.030 | 2.030 |
High resolution limit [Å] | 1.993 | 1.993 |
Rmerge | 0.141 | 3.243 |
Number of reflections | 101504 | |
<I/σ(I)> | 8.4 | 0.5 |
Completeness [%] | 99.6 | 93.1 |
Redundancy | 6.6 | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 278 | 100 mM Tris/HCl pH 8.3 16% (w/v) PEG6000 10 mM Na2HPO4 5 mM NaOAc |