7K4Y

Crystal structure of Kemp Eliminase HG3.17 at 343 K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	343
Detector technology	CCD
Collection date	2018-03-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	49.710, 68.120, 73.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.860 - 1.800
R-factor	0.165
Rwork	0.162
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bs0
RMSD bond length	0.006
RMSD bond angle	0.925
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.860	1.864
High resolution limit [Å]	1.800	1.800
Number of reflections	23826	2330
<I/σ(I)>	7.38
Completeness [%]	99.8
Redundancy	5.3
CC(1/2)	0.987	0.286

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	30% (w/v) PEG 6,000, 100 mM PIPES, pH 7.0, and 10 mM DTT