7JIE

Structure of GII.4 P-domain in Complex with NORO-320 FAB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2018-08-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9774
Spacegroup name	P 21 21 2
Unit cell lengths	119.254, 186.273, 73.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.112 - 2.254
R-factor	0.183
Rwork	0.181
R-free	0.22540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3SJP and 5KW9
RMSD bond length	0.003
RMSD bond angle	0.609
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((dev_3386))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.290
High resolution limit [Å]	2.250	2.250
Rmeas	0.129	0.846
Rpim	0.050	0.340
Number of reflections	78053	3854
<I/σ(I)>	15.6875
Completeness [%]	99.8
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293.15	0.1 M BIS-TRIS prop 8.5 pH, 0.2 M KSCN, 20% w/v PEG 3350