4PB9

Structure of the Fab fragment of the anti-Francisella tularensis GroEL antibody Ab64

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2013-03-18
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	H 3
Unit cell lengths	154.571, 154.571, 58.264
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	14.848 - 2.600
R-factor	0.1906
Rwork	0.185
R-free	0.23970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.739
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	15.000	15.000	2.690
High resolution limit [Å]	2.600	5.520	2.600
Rmerge	0.061	0.029	0.386
Total number of observations	91821
Number of reflections	15858
<I/σ(I)>	23
Completeness [%]	98.8	99	97.5
Redundancy	5.8	5.8	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	290	Ab64 (27 mg/ml in 20 mM Tris pH 7.5, 0.15 M NaCl, and 0.02% NaN3) was mixed with reservoir (1.8 M ammonium sulfate and 0.1 M tris-HCl, pH 8.5) in hanging drops at 17C.