3PF5

Crystal structure of Bs-CspB in complex with rU6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2009-02-12
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	49.038, 49.769, 57.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.460 - 1.680
R-factor	0.18252
Rwork	0.180
R-free	0.23466
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1csp
RMSD bond length	0.016
RMSD bond angle	1.459
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.500	1.720
High resolution limit [Å]	1.680	1.680
Number of reflections	15961
<I/σ(I)>	10.48	1.85
Completeness [%]	96.1	93.7
Redundancy	2.87	2.84

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.rU6 complex concentration: 70mg/ml; crystallization buffer: 31% PEG 3350, 0.25M MgCl2, 0.1M TRIS pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K