5RG5

Crystal Structure of Kemp Eliminase HG3.3b 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	76.230, 80.030, 98.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.090 - 1.620
Rwork	0.142
R-free	0.16650
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]	37.090	37.100	1.650
High resolution limit [Å]	1.620	4.400	1.620
Rmeas	0.169	0.070	1.368
Rpim	0.047	0.020	0.407
Total number of observations	998006	49952	41801
Number of reflections	77569	4168	3834
<I/σ(I)>	8.9	27.2	1
Completeness [%]	100.0	100	100
Redundancy	12.9	12	10.9

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