6RGZ

Revisiting pH-gated conformational switch. Complex HK853-RR468 pH 6.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979270
Spacegroup name	I 1 2 1
Unit cell lengths	68.736, 93.608, 173.927
Unit cell angles	90.00, 93.35, 90.00

Refinement procedure

Resolution	28.900 - 2.350
R-factor	0.21728
Rwork	0.215
R-free	0.26512
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB 3DGE
RMSD bond length	0.007
RMSD bond angle	1.206
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]	28.940	2.430
High resolution limit [Å]	2.350	2.350
Number of reflections	45694	4320
<I/σ(I)>	13.7
Completeness [%]	99.2
Redundancy	4.6
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	294	1,8M HH4SO4, 0,1M citrato 6,5