5I2U

Crystal structure of a novel Halo-Tolerant Cellulase from Soil Metagenome

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-05-21
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.542
Spacegroup name	P 21 21 21
Unit cell lengths	45.766, 88.128, 146.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.770 - 2.200
R-factor	0.21146
Rwork	0.209
R-free	0.25706
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pzt
RMSD bond length	0.009
RMSD bond angle	1.295
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.770	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.078	0.457
Number of reflections	30246
<I/σ(I)>	15.9	2.7
Completeness [%]	98.3	88
Redundancy	6	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.2M MAGNESIUM CHLORIDE HEXAHYDRATE, 0.1M TRIS, 25% PEG3350