3PQS

The crystal structures of porcine pathogen ApH87_TbpB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Detector technology	CCD
Collection date	2009-12-17
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	132.600, 151.300, 90.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.140 - 2.100
R-factor	0.162
Rwork	0.160
R-free	0.19700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.062
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.5_2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.960
High resolution limit [Å]	1.890	4.070	1.890
Rmerge	0.074	0.047	0.619
Number of reflections	53954
<I/σ(I)>	12.2
Completeness [%]	74.0	99.7	23.8
Redundancy	12.5	14.1	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.16 M sodium acetate, 0.08 M calcium cacodylate, 23% PEG 3350, 15% glycerol, pH 6.5, vapor diffusion, hanging drop, temperature 293K