3BO6

Structure of the Chromobacterium violaceum VirA (SpvC) Phosphothreonine Lyase effector protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.92
Spacegroup name	P 1 21 1
Unit cell lengths	42.671, 119.777, 44.492
Unit cell angles	90.00, 105.63, 90.00

Refinement procedure

Resolution	41.094 - 1.400
R-factor	0.1599
Rwork	0.159
R-free	0.18900
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.330
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	59.888	42.880	1.480
High resolution limit [Å]	1.400	4.430	1.400
Rmerge	0.077	0.041	0.307
Total number of observations		11668	16484
Number of reflections	74121
<I/σ(I)>	6.8	13.7	2.1
Completeness [%]	87.9	93.8	75.8
Redundancy	3.4	4.6	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.8	287	1M ammonium sulphate, 0.1M BICINE, pH8.8, VAPOR DIFFUSION, HANGING DROP, temperature 287K
1	VAPOR DIFFUSION, HANGING DROP	8.8	287	1M ammonium sulphate, 0.1M BICINE, pH8.8, VAPOR DIFFUSION, HANGING DROP, temperature 287K