5JW5

Structure of MEDI8852 Fab Fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97941
Spacegroup name	P 21 21 21
Unit cell lengths	65.220, 109.920, 139.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	86.430 - 1.900
R-factor	0.188
Rwork	0.187
R-free	0.21710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3HOT (chain B) 4KMT (chain L)
RMSD bond length	0.013
RMSD bond angle	1.530
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0124)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	86.430		1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.098	0.039	0.745
Number of reflections	77785
<I/σ(I)>	10	25.59	2.41
Completeness [%]	97.3	83.3	98.4
Redundancy	4.1
CC(1/2)	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% PEG3350, 0.2 M Ammonium Dihydrogen Phosphate, seeded from crystals obtained from 18% PEG8000, 0.1 M Sodium Cacodylate pH 6.5 and 0.2 M Calcium Acetate