5U3P

Crystal Structure of DH511.4 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-10
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	42.486, 48.163, 57.129
Unit cell angles	86.14, 82.32, 82.29

Refinement procedure

Resolution	27.287 - 1.500
R-factor	0.1887
Rwork	0.188
R-free	0.21110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ghb 4kmt
RMSD bond length	0.006
RMSD bond angle	1.121
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.287	50.000	1.530
High resolution limit [Å]	1.500	4.070	1.500
Rmerge	0.059	0.042	0.424
Rmeas	0.076
Rpim	0.048
Total number of observations	165642
Number of reflections	65896
<I/σ(I)>	15.1
Completeness [%]	93.3	66.2	93.1
Redundancy	2.5	2	2.3
CC(1/2)		0.992	0.746

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M di-sodium hydrogen phosphate, 20% PEG 3350