4H79

Crystal structure of CasB from Thermobifida fusca

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-18
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9770
Spacegroup name	P 61
Unit cell lengths	86.749, 86.749, 70.016
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.900
R-factor	0.15
Rwork	0.148
R-free	0.19620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zca
RMSD bond length	0.022
RMSD bond angle	1.635
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.930
High resolution limit [Å]	1.900	1.900
Number of reflections	22861
Completeness [%]	96.3	78.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291.5	0.1M Tris-HCl, pH 8.0-8.5, 2% (v/v) ethanol, VAPOR DIFFUSION, HANGING DROP, temperature 291.5K