6W3U

APE1 exonuclease substrate complex R237C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2018-06-29
Detector	RDI CMOS_8M
Wavelength(s)	1.00
Spacegroup name	P 1 21 1
Unit cell lengths	71.177, 65.622, 91.717
Unit cell angles	90.00, 110.52, 90.00

Refinement procedure

Resolution	46.760 - 2.400
R-factor	0.188
Rwork	0.184
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wn4
RMSD bond length	0.011
RMSD bond angle	1.108
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.17.1_3660)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.760	2.490
High resolution limit [Å]	2.400	2.400
Rmeas	0.089	0.971
Number of reflections	28973	2048
<I/σ(I)>	12
Completeness [%]	92.9
Redundancy	3.5
CC(1/2)		0.683

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	7% PEG20000, 100 mM sodium citrate, 15% glycerol, 5 mM calcium chloride