8HOE

Apo structure of HopBF1 kinase from Ewingella americana

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-05-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978520
Spacegroup name	H 3 2
Unit cell lengths	134.283, 134.283, 124.163
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.760 - 2.200
R-factor	0.1998
Rwork	0.198
R-free	0.22530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.125
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (dev_4778)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.760	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.067	1.441
Rmeas	0.069
Rpim	0.016	0.348
Number of reflections	21950	2681
<I/σ(I)>	23.88
Completeness [%]	100.0
Redundancy	19.2
CC(1/2)	1.000	0.755

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	2 M ammonium sulfate, 8 % (V/V) ethylene glycol, ,10 % (w/v) PEG 8000, 0.1 M HEPES sodium pH 7.5