6K36

Crystal structure of BioU from Synechocystis sp.PCC6803 conjugated with DAPA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2018-11-28
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	71.114, 71.114, 98.198
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.810 - 2.300
R-factor	0.19998
Rwork	0.196
R-free	0.27820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6itd
RMSD bond length	0.008
RMSD bond angle	1.500
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	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.086	0.604
Rpim	0.031	0.211
Number of reflections	13306	642
<I/σ(I)>	29.4
Completeness [%]	99.9
Redundancy	8.8
CC(1/2)	0.992	0.880

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	18% (w/v) PEG 3350, 0.2M potassium formate, 0.21M HEPES-NaOH (pH7.0)