8RQJ

Histidine-containing phosphotransfer protein from Chaetomium termophilum mutant R158A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-01-23
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	0.97918
Spacegroup name	F 2 2 2
Unit cell lengths	122.350, 123.156, 128.907
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.000 - 3.400
R-factor	0.24669
Rwork	0.244
R-free	0.30189
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.807
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.000	3.670
High resolution limit [Å]	3.400	3.400
Rmerge	0.258	1.971
Rmeas	0.269	2.049
Rpim	0.076	0.559
Number of reflections	6876	1389
<I/σ(I)>	8.8	2.4
Completeness [%]	100.0
Redundancy	12.7
CC(1/2)	0.998	0.759

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	1.6 M Ammonium Sulfate 1.0 M Lithium Sulfate