3PF4

Crystal structure of Bs-CspB in complex with r(GUCUUUA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	110
Detector technology	CCD
Collection date	2009-07-20
Detector	RAYONIX MX-225
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	49.275, 50.512, 57.802
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.020 - 1.380
R-factor	0.156
Rwork	0.154
R-free	0.19400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1csp
RMSD bond length	0.017
RMSD bond angle	1.634
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (1.3.3)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.020		1.500
High resolution limit [Å]	1.380	17.000	1.380
Rmerge	0.039	0.033	0.590
Number of reflections	30207	6	6586
<I/σ(I)>	20.73	50.9	2.8
Completeness [%]	99.6	26.1	99.8
Redundancy	4.74		4.72

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293.15	protein buffer: 50mM TRIS, 20mM Na-HEPES, pH 7.5; Bs-CspB.rGUCUUUA complex concentration: 50mg/ml; crystallization buffer: 30% (w/v) PEG 4000, 0.2M MgCl2, 0.1M TRIS pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K