1RJL

Structure of the complex between OspB-CT and bactericidal Fab-H6831

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	288
Detector technology	CCD
Detector	BRANDEIS
Wavelength(s)	0.98
Spacegroup name	C 1 2 1
Unit cell lengths	186.286, 37.271, 87.939
Unit cell angles	90.00, 90.66, 90.00

Refinement procedure

Resolution	30.090 - 2.600
Rwork	0.191
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Fab portion of PDB ENTRY 1OSP
RMSD bond length	0.006
RMSD bond angle	1.700
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.090	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.078	0.157
Number of reflections	17715
<I/σ(I)>	14.6	4.8
Completeness [%]	94.3	87.6
Redundancy	7.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	277	PEG3350, sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K