6OE8

The crystal structure of hyper-thermostable AgUricase mutant K12C/E286C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-01-08
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.00
Spacegroup name	C 1 2 1
Unit cell lengths	133.932, 149.105, 84.956
Unit cell angles	90.00, 118.57, 90.00

Refinement procedure

Resolution	37.276 - 1.990
R-factor	0.1806
Rwork	0.180
R-free	0.20610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yzb
RMSD bond length	0.005
RMSD bond angle	0.878
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.060
High resolution limit [Å]	1.990	1.990
Rmerge	0.098	0.308
Number of reflections	97576	9744
<I/σ(I)>	9.4
Completeness [%]	97.4	98.3
Redundancy	3.4	3.3
CC(1/2)	0.983	0.922

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5	293	12% (w/v) polyethylene glycol 3350 and 0.1M sodium malonate