6PWG

Ewingella americana HopBF1 kinase bound to AMP-PNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-18
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0070
Spacegroup name	H 3 2
Unit cell lengths	76.185, 76.185, 351.362
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.220 - 1.890
R-factor	0.2079
Rwork	0.206
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6pwd
RMSD bond length	0.007
RMSD bond angle	0.816
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.220	1.930
High resolution limit [Å]	1.890	1.890
Rmerge	0.070	1.212
Rpim	0.040	0.728
Number of reflections	31760	1546
<I/σ(I)>	11.5	2.1
Completeness [%]	99.7	100
Redundancy	3.8	3.7
CC(1/2)		0.790

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	277	0.2 M sodium citrate, 22% PEG3000, 1 mM AMP-PNP, 5 mM manganese chloride, 1 mM TCEP, 0.05 M sodium chloride, 25% ethylene glycol