5D4V

HcgC with SAH and a guanylylpyridinol (GP) derivative

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-12-01
Detector	PSI PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	86.110, 70.480, 91.770
Unit cell angles	90.00, 105.19, 90.00

Refinement procedure

Resolution	44.283 - 1.600
R-factor	0.1724
Rwork	0.171
R-free	0.20790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5d4u
RMSD bond length	0.013
RMSD bond angle	1.446
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.700
High resolution limit [Å]	1.600	12.000	1.600
Rmerge	0.048	0.031	0.802
Rmeas	0.055	0.034	0.911
Total number of observations	622756
Number of reflections	139537	358	23076
<I/σ(I)>	15.99	46.55	2.26
Completeness [%]	99.8	96.5	99.7
Redundancy	4.5		4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	281	2% (w/v) PEG8000, 0.5 M lithium sulfate