7V3A

Crystal structure of apo-NP exonuclease C409A

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	2016-12-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	127.324, 59.431, 71.533
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.794 - 2.100
R-factor	0.2058
Rwork	0.203
R-free	0.23980
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	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.089	0.047	0.447
Rmeas	0.097	0.052	0.492
Rpim	0.038	0.020	0.202
Total number of observations	215047
Number of reflections	33231	3540	3255
<I/σ(I)>	8.6
Completeness [%]	99.8	99.7	99.5
Redundancy	6.5	6.5	5.5
CC(1/2)		0.998	0.889

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M Magnesium formate dihydrate, 20% w/v Polyethylene glycol 3,350