5KLC

Structure of CBM_E1, a novel carbohydrate-binding module found by sugar cane soil metagenome

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	2014-04-08
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.46
Spacegroup name	I 1 2 1
Unit cell lengths	28.391, 26.514, 99.294
Unit cell angles	90.00, 92.78, 90.00

Refinement procedure

Resolution	26.922 - 1.746
R-factor	0.1566
Rwork	0.154
R-free	0.20730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5klf
RMSD bond length	0.006
RMSD bond angle	0.815
Data reduction software	XDS
Data scaling software	Aimless (0.5.2)
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX (1.10.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.620	27.620	1.780
High resolution limit [Å]	1.740	9.060	1.740
Rmerge	0.084	0.034	0.972
Number of reflections	7638
<I/σ(I)>	14.8	29.8	1.9
Completeness [%]	98.9	97.1	81
Redundancy	6.8	5.9	5.5
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	10.5	291	2 M ammonium sulfate, 0.2 M lithium sulfate and 0.1 M CAPS, pH 10.5