7V3C

Crystal structure of NP exonuclease C409A-PCMB 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)	0.99263
Spacegroup name	P 21 21 21
Unit cell lengths	123.851, 58.809, 68.845
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.438 - 1.900
R-factor	0.1896
Rwork	0.187
R-free	0.22160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7v37
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.970
High resolution limit [Å]	1.896	4.090	1.900
Rmerge	0.058	0.038	0.476
Rmeas	0.061	0.040	0.514
Rpim	0.019	0.012	0.188
Number of reflections	40392	4256	3978
<I/σ(I)>	12.8
Completeness [%]	99.6	98.7	99.5
Redundancy	9.2	10.7	6.7
CC(1/2)		0.999	0.719

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M Magnesium chloride hexahydrate, 0.1 M Tris pH 8.5, 25% w/v Polyethylene glycol 3,350, 2 mM Sodium p-hydroxymercuribenzoate