5CGY

Fab fragment of Chikungunya virus neutralizing human monoclonal antibody 4J21

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2014-08-22
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9787
Spacegroup name	P 1 21 1
Unit cell lengths	39.224, 127.588, 83.912
Unit cell angles	90.00, 97.70, 90.00

Refinement procedure

Resolution	33.194 - 2.070
R-factor	0.1694
Rwork	0.168
R-free	0.21620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ujt 4jy6
RMSD bond length	0.008
RMSD bond angle	1.189
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.150
High resolution limit [Å]	2.070	2.070
Rmerge		0.280
Number of reflections	55062
<I/σ(I)>	21.7	6.2
Completeness [%]	94.2	98.5
Redundancy	4.1	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	PEG2000, Tris, ammonium acetate