6XX1

The unique CBM3-Clocl_1192 of Hungateiclostridium clariflavum

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-05-07
Detector	OXFORD ONYX CCD
Wavelength(s)	0.8726
Spacegroup name	P 1 21 1
Unit cell lengths	46.090, 157.740, 46.560
Unit cell angles	90.00, 94.41, 90.00

Refinement procedure

Resolution	78.870 - 1.610
R-factor	0.1841
Rwork	0.183
R-free	0.21110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6sl4
RMSD bond length	0.019
RMSD bond angle	1.805
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.870	1.670
High resolution limit [Å]	1.610	1.610
Number of reflections	85011	4251
<I/σ(I)>	7.9
Completeness [%]	99.2
Redundancy	3.7
CC(1/2)	0.996	0.396

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.1 M sodium formate, 20% PEG 3350