5RG6

Crystal Structure of Kemp Eliminase HG3.7 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	76.200, 79.850, 98.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.340 - 1.350
Rwork	0.126
R-free	0.14090
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]	60.340	60.400	1.370
High resolution limit [Å]	1.350	3.660	1.350
Rmeas	0.074	0.051	0.557
Rpim	0.029	0.020	0.246
Total number of observations	828375	42430	28520
Number of reflections	131151	6994	6009
<I/σ(I)>	13	31.5	2.3
Completeness [%]	99.0	99.9	91.8
Redundancy	6.3	6.1	4.7

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