4OTX

Structure of the anti-Francisella tularensis O-antigen antibody N203 Fab fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-09-17
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	66.011, 122.322, 124.764
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.857 - 2.100
R-factor	0.194
Rwork	0.193
R-free	0.22830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	the light chain of PDB code 1MCP and the heavy (H) chain of PDB code 3CLE
RMSD bond length	0.002
RMSD bond angle	0.674
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.5.0)
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	15.000	15.000	2.170
High resolution limit [Å]	2.100	4.490	2.100
Rmerge	0.070	0.035	0.349
Number of reflections	58890
<I/σ(I)>	14.4
Completeness [%]	99.0	97.8	96.3
Redundancy	4.1	4.1	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	290	Crystals were grown by streak seeding into an overnight equilibrated drop containing 0.5 ul of Fab (38mg/ml) and 0.5 ul of reservoir solution [0.1 M sodium citrate (pH 4.0), 1 M lithium chloride, 13-16% PEG 6000], VAPOR DIFFUSION, HANGING DROP, temperature 290K