6SLO

Crystal structure of PUF60 UHM domain in complex with 7,8 dimethoxyperphenazine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-05-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.071600
Spacegroup name	P 21 21 2
Unit cell lengths	81.520, 89.400, 149.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.036 - 1.940
R-factor	0.1776
Rwork	0.176
R-free	0.20730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dxb
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	55.036	55.036	1.990
High resolution limit [Å]	1.940	8.680	1.940
Rmerge	0.076	0.046	0.799
Rmeas	0.085	0.052	0.889
Total number of observations	413389
Number of reflections	81211	1017	5917
<I/σ(I)>	12.8	31.28	2.36
Completeness [%]	99.8	97.7	99.8
Redundancy	5.09	5.002	5.107
CC(1/2)	0.997	0.996	0.734

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	293	1.4M ammonium sulfate, 0.05M K-formate,