6JW6
The crystal structure of KanD2 in complex with NAD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-11-21 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.000 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 119.469, 119.469, 131.435 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.180 - 2.800 |
R-factor | 0.1985 |
Rwork | 0.196 |
R-free | 0.24450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4h3v |
RMSD bond length | 0.014 |
RMSD bond angle | 1.680 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.950 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.085 | 0.918 |
Number of reflections | 27212 | 3916 |
<I/σ(I)> | 23.3 | 2.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 11.1 | 11.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | PEG 8000, imidazole, calcium acetate, NAD |