5RG8

Crystal Structure of Kemp Eliminase HG3.17 in unbound state, 277K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	277
Detector technology	PIXEL
Collection date	2018-06-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.1158
Spacegroup name	P 21 21 21
Unit cell lengths	51.350, 58.170, 92.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.170 - 1.730
Rwork	0.140
R-free	0.16150
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.170	46.190	1.760
High resolution limit [Å]	1.730	4.690	1.730
Rmeas	0.269	0.084	1.381
Rpim	0.064	0.020	0.545
Total number of observations	489478	29199	9242
Number of reflections	29625	1642	1459
<I/σ(I)>	8.8	27.6	1.1
Completeness [%]	100.0	100	99.5
Redundancy	16.5	17.8	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	277	1.8-2.4 M Ammonium Sulfate, 4mg/mL Protein Concentration, 100mM Sodium Acetate