5X3H

The Y81G mutant of the UNG crystal structure from Nitratifractor salsuginis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.99
Spacegroup name	P 1 21 1
Unit cell lengths	38.414, 114.763, 55.536
Unit cell angles	90.00, 91.42, 90.00

Refinement procedure

Resolution	39.900 - 2.500
R-factor	0.214
Rwork	0.212
R-free	0.26540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5x3g
RMSD bond length	0.006
RMSD bond angle	1.001
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.079	0.263
Number of reflections	16628	1623
<I/σ(I)>	16.5	5.8
Completeness [%]	99.2	98.5
Redundancy	3.5	3.4
CC(1/2)		0.920

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	10% PEG3350 ?0.1 M HEPES pH7.0