5KLF

Structure of CBM_E1, a novel carbohydrate-binding module found by sugar cane soil metagenome, complexed with cellopentaose and gadolinium ion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-13
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.48
Spacegroup name	I 21 3
Unit cell lengths	88.410, 88.410, 88.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.258 - 1.801
R-factor	0.1694
Rwork	0.168
R-free	0.19110
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.181
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.2)
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	31.260	31.260	1.840
High resolution limit [Å]	1.800	9.000	1.800
Rmerge	0.130	0.071	0.814
Rmeas	0.137	0.075	0.857
Rpim	0.042	0.024	0.265
Total number of observations	113653	927	6595
Number of reflections	10827
<I/σ(I)>	15.1	24.9	4
Completeness [%]	100.0	97.8	100
Redundancy	10.5	9.3	10.3
CC(1/2)	0.997	0.999	0.908

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	4 M sodium formate