8USK

Crystal Structure of Kemp Eliminase HG185 in unbound state, 280 K

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]	280
Detector technology	PIXEL
Collection date	2021-12-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.1
Spacegroup name	P 1 21 1
Unit cell lengths	51.119, 77.444, 93.745
Unit cell angles	90.00, 105.55, 90.00

Refinement procedure

Resolution	90.320 - 1.600
R-factor	0.1616
Rwork	0.161
R-free	0.18330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.834
Data reduction software	xia2 (0.5.492)
Data scaling software	Aimless (Xia2 0.5.492)
Phasing software	PHASER (v1.13.2998)
Refinement software	PHENIX (v1.13.2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.320	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.113	0.863
Rpim	0.071	0.542
Number of reflections	89399	4304
<I/σ(I)>	10.3	1.3
Completeness [%]	96.4	94.1
Redundancy	3.4	3.5
CC(1/2)	0.992	0.474

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	12.8 mg/mL protein, 100 mM sodium acetate, pH 4.6, 1.6 M ammonium sulfate