6XB3

Structure of AcNPV poxin in post-reactive state with Gp[2'-5']Ap[3']

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-06
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97930
Spacegroup name	P 1
Unit cell lengths	127.234, 127.192, 127.151
Unit cell angles	124.81, 102.39, 102.39

Refinement procedure

Resolution	38.310 - 1.900
R-factor	0.1864
Rwork	0.175
R-free	0.20830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Unpublished SAD-phased structure of a Se-Met derivative
RMSD bond length	0.007
RMSD bond angle	1.013
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.310	1.930
High resolution limit [Å]	1.900	1.900
Rpim	0.045	0.581
Number of reflections	422103	20247
<I/σ(I)>	19.5	1.3
Completeness [%]	92.3	90
Redundancy	3.7
CC(1/2)	0.994	0.623

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	100 mM sodium acetate, 35-39% PEG-400