4AG6

Structure of VirB4 of Thermoanaerobacter pseudethanolicus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	CCD
Collection date	2010-12-06
Detector	ADSC QUANTUM 315r
Spacegroup name	P 2 21 21
Unit cell lengths	109.286, 112.765, 156.579
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.956 - 2.350
R-factor	0.2282
Rwork	0.226
R-free	0.26580
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.014
RMSD bond angle	1.107
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SOLVE (RESOLVE)
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.960	2.480
High resolution limit [Å]	2.350	2.350
Rmerge	0.080	0.480
Number of reflections	80446
<I/σ(I)>	14.8	4.1
Completeness [%]	99.2	99.9
Redundancy	5.4	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				30% PEG 3350; 100 MM BIS-TRIS, PH 5.75; 200 MM AMMONIUM SULPHATE