7V38

Crystal structure of NP exonuclease-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	2016-05-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.99311
Spacegroup name	P 21 21 21
Unit cell lengths	50.227, 74.012, 140.807
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.793 - 2.403
R-factor	0.2167
Rwork	0.213
R-free	0.26220
Structure solution method	SAD
Starting model (for MR)	4g9z
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AutoSol
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.490
High resolution limit [Å]	2.400	5.160	2.400
Rmerge	0.085	0.049	0.496
Rmeas	0.089	0.052	0.520
Rpim	0.025	0.015	0.152
Total number of observations	245203
Number of reflections	20856	2266	1904
<I/σ(I)>	10.8
Completeness [%]	98.9	99.5	92.5
Redundancy	11.8	11.3	10.2
CC(1/2)		0.999	0.946

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M Sodium malonate pH 6.0, 20% w/v Polyethylene glycol 3,350, 2 mM Sodium p-chloromercuriphenylsulphonate