5I30

Crystal structure of the human astrovirus 2 neutralizing monoclonal antibody PL-2 Fab fragment at 1.9 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9774
Spacegroup name	C 2 2 21
Unit cell lengths	72.220, 170.470, 78.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.788 - 1.900
R-factor	0.1818
Rwork	0.180
R-free	0.22120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nca
RMSD bond length	0.013
RMSD bond angle	1.336
Data reduction software	MOSFLM (3.3.21)
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER (6.5)
Refinement software	PHENIX (PHENIX1.10-2152)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.790	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.112	0.580
Rmeas		0.036
Rpim		0.014
Total number of observations		34428
Number of reflections	37834
<I/σ(I)>	13.2	3.4
Completeness [%]	98.6	97.4
Redundancy	6.7	6.4
CC(1/2)	0.998	0.825

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	295	PEG 3350, ammonium phosphate monobasic