5RG4

Crystal Structure of Kemp Eliminase HG3 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	76.140, 79.970, 99.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.520 - 1.990
Rwork	0.177
R-free	0.21640
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]	41.520	41.530	2.020
High resolution limit [Å]	1.990	5.400	1.990
Rmeas	0.320	0.166	0.964
Rpim	0.125	0.066	0.376
Total number of observations	272290	13664	13521
Number of reflections	42219	2301	2079
<I/σ(I)>	3.7	7.8	1
Completeness [%]	100.0	100	100
Redundancy	6.4	5.9	6.5

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