5CMA

Anti-B7-H3 monoclonal antibody ch8H9 Fab fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2012-08-02
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97950
Spacegroup name	C 2 2 21
Unit cell lengths	64.576, 207.422, 85.491
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.001 - 2.500
R-factor	0.2106
Rwork	0.208
R-free	0.26060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3d85
RMSD bond length	0.003
RMSD bond angle	0.869
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP (11.0.02)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.540
High resolution limit [Å]	2.500	6.760	2.500
Rmerge	0.052	0.028	0.446
Rmeas	0.061	0.033	0.529
Rpim	0.032	0.017	0.279
Total number of observations	66793
Number of reflections	20058
<I/σ(I)>	6
Completeness [%]	98.2	94.8	99.4
Redundancy	3.3	3.2	3.3
CC(1/2)		0.998	0.899

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289	0.2M Lithium sulfate monohydrate; 0.1M BIS-TRIS 25% w/v Polyethylene glycol 3,350