7V3B

Crystal structure of NP exonuclease C409A-PCMPS complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.99258
Spacegroup name	P 21 21 21
Unit cell lengths	122.703, 58.897, 69.188
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.829 - 1.800
R-factor	0.1885
Rwork	0.186
R-free	0.21840
Structure solution method	SAD
Starting model (for MR)	4g9z
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.860
High resolution limit [Å]	1.795	3.880	1.800
Rmerge	0.063	0.040	0.497
Rmeas	0.065	0.042	0.522
Rpim	0.019	0.012	0.159
Number of reflections	47519	5020	4654
<I/σ(I)>	9.5
Completeness [%]	99.8	99.4	99.8
Redundancy	11.1	11.1	10.4
CC(1/2)		0.999	0.937

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M Magnesium chloride hexahydrate, 0.1 M HEPES pH 7.5, 25% w/v Polyethylene glycol 3,350, 2 mM Sodium p-chloromercuriphenylsulphonate