6QZY

full length OphA V406P in complex with SAH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	I 2 2 2
Unit cell lengths	86.047, 92.447, 162.763
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	80.390 - 1.610
R-factor	0.19079
Rwork	0.190
R-free	0.20489
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5n0o
RMSD bond length	0.005
RMSD bond angle	1.311
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.390	1.650
High resolution limit [Å]	1.610	1.610
Rmerge	0.048	1.078
Number of reflections	84065	6118
<I/σ(I)>	13.6	1.2
Completeness [%]	100.0	100
Redundancy	7.1	7.2
CC(1/2)	0.999	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.3-0.4 M KSCN, 0.1 M bicine pH 9, 1.8-2.2 M sodium malonate