6EWB

Crystal structure of GII.4 UNSW 2012 P domain in complex with Fab 10E9

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	2016-04-29
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.96
Spacegroup name	P 2 21 21
Unit cell lengths	106.838, 111.626, 288.255
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.757 - 2.780
R-factor	0.1877
Rwork	0.186
R-free	0.22190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2j4w 4x0c
RMSD bond length	0.005
RMSD bond angle	0.955
Data scaling software	XSCALE
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.757	48.757	2.950
High resolution limit [Å]	2.780	8.230	2.780
Rmerge	0.150	0.043	0.940
Rmeas	0.156	0.045	0.975
Number of reflections	86711	3640	13021
<I/σ(I)>	17.97	55.29	2.71
Completeness [%]	98.8	99.3	92.9
Redundancy	13.88	12.831	13.584
CC(1/2)	0.998	0.999	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2 M calcium acetate, 20% (w/v) PEG 3350