4X7C

Crystal structure of Saga-2006 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 2 21 21
Unit cell lengths	50.150, 125.230, 133.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.930 - 2.000
R-factor	0.1687
Rwork	0.166
R-free	0.21760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4oox 4x73
RMSD bond length	0.009
RMSD bond angle	1.213
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]	46.930		2.030
High resolution limit [Å]	1.980	8.870	1.980
Rmerge	0.120	0.045	0.813
Rmeas	0.127	0.047	0.863
Total number of observations	554153
Number of reflections	58332	770	3593
<I/σ(I)>	13	30.69	2.49
Completeness [%]	98.6	98.2	83.6
Redundancy	9.5		8.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	ammonium fluoride, PEG 3350