4U3Q

Crystal Structure of Recombinant TP0435 from Treponema pallidum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2010-12-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97912
Spacegroup name	H 3
Unit cell lengths	85.682, 85.682, 85.376
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.002 - 2.400
R-factor	0.2352
Rwork	0.231
R-free	0.27500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lhn
RMSD bond length	0.003
RMSD bond angle	0.654
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.048	0.031	0.549
Total number of observations	48918
Number of reflections	9033
<I/σ(I)>	14.9		1.75
Completeness [%]	99.2	99.6	89.1
Redundancy	5.4	5.7	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	40% (v/v) PEG 400, 0.2 M lithium sulfate, 0.1 M Tris