6VJI

Structure of mammalian NEIL2 from Monodelphis domestica

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-03
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.281
Spacegroup name	P 32
Unit cell lengths	67.887, 67.887, 149.130
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.960 - 2.540
R-factor	0.2527
Rwork	0.250
R-free	0.27490
Structure solution method	MIRAS
Data reduction software	XDS (2017-05-29)
Data scaling software	Aimless (0.5.32)
Phasing software	SHARP
Refinement software	PHENIX (1.14-3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	59.154	37.960	2.680
High resolution limit [Å]	2.539	8.030	2.540
Rmerge	0.124	0.069	3.394
Rmeas	0.130	0.072	3.761
Rpim	0.039	0.022	1.213
Number of reflections	50608	817	3715
<I/σ(I)>	18.8	56	0.9
Completeness [%]	99.9	99.3	99.9
Redundancy	11	11.1	9
CC(1/2)	0.996	0.996	0.468

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	40 mM hepes pH 7.5, 50 mM sodium succinate, 1% propylene glycol, 1 mM TCEP, 14% PEG 3350 and cryoprotected with increase to 20% PEG 3350 and 30% glucose
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	40 mM hepes pH 7.5, 50 mM sodium succinate, 1% propylene glycol, 1 mM TCEP, 14% PEG 3350 and cryoprotected with increase to 20% PEG 3350 and 30% glucose
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	40 mM hepes pH 7.5, 50 mM sodium succinate, 1% propylene glycol, 1 mM TCEP, 14% PEG 3350 and cryoprotected with increase to 20% PEG 3350 and 30% glucose
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	40 mM hepes pH 7.5, 50 mM sodium succinate, 1% propylene glycol, 1 mM TCEP, 14% PEG 3350 and cryoprotected with increase to 20% PEG 3350 and 30% glucose
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	40 mM hepes pH 7.5, 50 mM sodium succinate, 1% propylene glycol, 1 mM TCEP, 14% PEG 3350 and cryoprotected with increase to 20% PEG 3350 and 30% glucose
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	40 mM hepes pH 7.5, 50 mM sodium succinate, 1% propylene glycol, 1 mM TCEP, 14% PEG 3350 and cryoprotected with increase to 20% PEG 3350 and 30% glucose