5N0Q

Crystal structure of OphA-DeltaC6 in complex with SAH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-25
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9281
Spacegroup name	P 21 21 21
Unit cell lengths	72.443, 102.424, 115.297
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.340 - 2.402
R-factor	0.2248
Rwork	0.223
R-free	0.26880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5n0o
RMSD bond length	0.007
RMSD bond angle	1.273
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.340	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.074	1.009
Number of reflections	33901
<I/σ(I)>	11.9	2.2
Completeness [%]	99.2	99
Redundancy	4.4	4.4
CC(1/2)	0.998	0.861

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.02 % octyl beta-D-glucopyranoside (OG), 0.2 M KCl, 0.1 M Bis-Tris pH 6.5 and 20% PEG 4000