7K4T

Crystal structure of Kemp Eliminase HG3.17

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-04-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.8000
Spacegroup name	P 21 21 21
Unit cell lengths	50.150, 66.820, 71.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.110 - 0.999
R-factor	0.1593
Rwork	0.159
R-free	0.18130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bs0
RMSD bond length	0.009
RMSD bond angle	1.085
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]	40.110	1.035
High resolution limit [Å]	0.999	0.999
Number of reflections	131238	12932
<I/σ(I)>	11.3
Completeness [%]	100.0
Redundancy	6.6	5.1
CC(1/2)	0.998	0.631

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