7B2X

Crystal structure of human 5' exonuclease Appollo H61Y variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 41 21 2
Unit cell lengths	90.738, 90.738, 104.122
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.370 - 3.100
R-factor	0.2704
Rwork	0.268
R-free	0.31900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5aho
RMSD bond length	0.003
RMSD bond angle	0.535
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.400	3.310
High resolution limit [Å]	3.100	3.100
Rmerge	0.150	2.170
Number of reflections	8386	1474
<I/σ(I)>	13.8	1.3
Completeness [%]	100.0	100
Redundancy	12.7
CC(1/2)	0.990	0.580

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	22% PEG3350 -- 0.1M HEPES pH 7.0 -- 0.2M sodium formate