4N6R

Crystal structure of VosA-VelB-complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-28
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.87260
Spacegroup name	P 21 21 21
Unit cell lengths	52.030, 56.750, 138.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.954 - 2.200
R-factor	0.1926
Rwork	0.190
R-free	0.24560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4n6q
RMSD bond length	0.003
RMSD bond angle	0.737
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.142	38.351	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge	0.123	0.060	0.465
Total number of observations		2915	13418
Number of reflections	20664
<I/σ(I)>	8.3	9.4	1.6
Completeness [%]	97.0	92.8	98.3
Redundancy	4.5	4.2	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	25% PEG 4000, 150 mM (NH4)2SO4, 100 mM MES, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K