6K37
Crystal structure of BioU (K124A) from Synechocystis sp.PCC6803 in complex with NAD+ and the analog of reaction intermediate, 3-(1-aminoethyl)-nonanedioic acid
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] | 95 |
Detector technology | CCD |
Collection date | 2018-12-13 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 70.414, 70.414, 98.778 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.410 - 2.500 |
R-factor | 0.17797 |
Rwork | 0.174 |
R-free | 0.26874 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6itd |
RMSD bond length | 0.007 |
RMSD bond angle | 1.473 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.540 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.100 | 0.646 |
Rpim | 0.034 | 0.212 |
Number of reflections | 10264 | 541 |
<I/σ(I)> | 28.5 | |
Completeness [%] | 100.0 | |
Redundancy | 9.6 | |
CC(1/2) | 0.993 | 0.901 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 28% PEG 3350, 0.2M Ammonium formate, 0.1M HEPES-NaOH (pH7.0), 5mM 3-(1-aminoethyl)-nonanedioic acid, 5mM NAD+ |