4D53

Outer surface protein BB0689 from Borrelia burgdorferi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-3
Synchrotron site	MAX II
Beamline	I911-3
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-27
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 65
Unit cell lengths	92.210, 92.210, 96.130
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.270 - 1.850
R-factor	0.18015
Rwork	0.178
R-free	0.21581
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.022
RMSD bond angle	1.974
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.300	1.950
High resolution limit [Å]	1.850	1.850
Rmerge	0.030	0.190
Number of reflections	39106
<I/σ(I)>	14.4	3.8
Completeness [%]	99.1	96.6
Redundancy	4.3	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5		2.0 M AMMONIUM SULFATE, 0.1 M TRIS-HCL PH 8.5