4PB0

Structure of the Fab fragment of the anti-Francisella tularensis GroEL antibody Ab53

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2013-02-11
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 61 2 2
Unit cell lengths	151.817, 151.817, 102.766
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	14.922 - 2.500
R-factor	0.2139
Rwork	0.210
R-free	0.25170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.619
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	15.000	15.000	2.590
High resolution limit [Å]	2.500	5.310	2.500
Rmerge	0.089	0.045	0.371
Total number of observations	155055
Number of reflections	23646
<I/σ(I)>	13.5
Completeness [%]	96.3	95	96.1
Redundancy	6.6	6.8	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	290	Ab53 (30 mg/ml in 20 mM Tris pH 7.5, 0.15 M NaCl, and 0.02% NaN3) was mixed with the Index Screen HT reagent A4 (2 M ammonium sulfate, 0.1 M bistris, pH 6.5) in sitting drops at 17C.