4TR2

Crystal structure of PvSUB1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-12-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9801
Spacegroup name	P 43 21 2
Unit cell lengths	95.000, 95.000, 287.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.100 - 2.700
R-factor	0.2021
Rwork	0.200
R-free	0.24410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 2TEC 1dbi 1cgi 1r0r 1lw6 1ea7 and 1IC6
RMSD bond length	0.009
RMSD bond angle	1.150
Refinement software	BUSTER (2.11.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	2.850
High resolution limit [Å]	2.700	2.700
Rmerge	0.137	0.726
Number of reflections	37100
<I/σ(I)>	9.2	2.6
Completeness [%]	99.4	100
Redundancy	8.6	8.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	291	1.6 M NaH2PO4, 0.4 M K2HPO4, 0.1 M phosphate citrate