4X7D

Crystal structure of 2012 NSW GII.4 P domain in complex with Nano-85

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-09-03
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	70.640, 93.580, 136.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.790 - 2.150
R-factor	0.1975
Rwork	0.196
R-free	0.23790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4OOS was used for GII.10 P domain (molecule 1) and recently deposited PDB entry 4X7E for Nano-85 (molecule 2)
RMSD bond length	0.012
RMSD bond angle	1.264
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.790		2.210
High resolution limit [Å]	2.150	9.620	2.150
Rmerge	0.083	0.020	0.661
Rmeas	0.097	0.023	0.767
Total number of observations	185356
Number of reflections	49811	640	3619
<I/σ(I)>	11.74	43.13	2.03
Completeness [%]	99.4	96.4	98.4
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	PEG 8000, HEPES