6RH0

Revisiting pH-gated conformational switch. Complex HK853-RR468 pH 5.5

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	2019-02-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979178
Spacegroup name	I 1 2 1
Unit cell lengths	68.616, 92.933, 174.337
Unit cell angles	90.00, 93.49, 90.00

Refinement procedure

Resolution	49.210 - 2.870
R-factor	0.24271
Rwork	0.240
R-free	0.28727
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB 3DGE
RMSD bond length	0.007
RMSD bond angle	1.022
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]	49.210	3.030
High resolution limit [Å]	2.870	2.870
Number of reflections	24443	3582
<I/σ(I)>	14.1
Completeness [%]	97.6
Redundancy	3.8
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	294	1,5 M HH4SO4, 0,1M bis-tris 5,5