5RG7

Crystal Structure of Kemp Eliminase HG3.14 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	76.310, 79.830, 99.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.830 - 1.470
Rwork	0.132
R-free	0.14800
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]	79.830	79.950	1.500
High resolution limit [Å]	1.470	3.990	1.470
Rmeas	0.125	0.060	1.237
Rpim	0.029	0.014	0.372
Total number of observations	1908579	98467	52966
Number of reflections	103204	5508	5079
<I/σ(I)>	13.6	43.7	1.4
Completeness [%]	99.8	100	99.2
Redundancy	18.5	17.9	10.4

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