6RH2

Revisiting pH-gated conformational switch. Complex HK853-RR468 D53A pH 5.3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979260
Spacegroup name	I 1 2 1
Unit cell lengths	68.532, 92.134, 175.932
Unit cell angles	90.00, 93.48, 90.00

Refinement procedure

Resolution	87.800 - 2.000
R-factor	0.19416
Rwork	0.192
R-free	0.22753
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB 3DGE
RMSD bond length	0.007
RMSD bond angle	1.127
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	87.800	2.040
High resolution limit [Å]	2.000	2.000
Number of reflections	73361	4549
<I/σ(I)>	13.5
Completeness [%]	99.5
Redundancy	3.7
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.3	294	1,2 M NH4SO4, 0,1M Bistris pH 5,3