4YB8
Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 in complex with phosphate and ADP
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 | 106.071, 110.615, 125.709 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 83.043 - 1.900 |
| R-factor | 0.1835 |
| Rwork | 0.182 |
| R-free | 0.22050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.201 |
| Data reduction software | XDS (September 26, 2012) |
| Data scaling software | Aimless (0.3.11) |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 110.610 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.165 | 4.603 |
| Number of reflections | 116787 | |
| <I/σ(I)> | 9.4 | 0.5 |
| Completeness [%] | 100.0 | 99.5 |
| Redundancy | 13 | 9.8 |
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 |
