5RGF

Crystal Structure of Kemp Eliminase HG4 with bound transition state analogue, 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	76.410, 79.940, 99.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.210 - 1.460
Rwork	0.132
R-free	0.14970
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]	38.210	38.220	1.490
High resolution limit [Å]	1.460	3.960	1.460
Rmeas	0.116	0.059	1.371
Rpim	0.028	0.014	0.375
Total number of observations	1828239	91826	67477
Number of reflections	105704	5642	5201
<I/σ(I)>	13.2	43.9	1.6
Completeness [%]	100.0	100	99.9
Redundancy	17.3	16.3	13

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