5O59

Cellobiohydrolase Cel7A from T. atroviride

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-11-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97243
Spacegroup name	P 1 21 1
Unit cell lengths	55.850, 71.340, 102.912
Unit cell angles	90.00, 89.99, 90.00

Refinement procedure

Resolution	58.630 - 1.750
R-factor	0.1578
Rwork	0.156
R-free	0.19015
RMSD bond length	0.008
RMSD bond angle	1.353
Data reduction software	XDS
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.630	1.850
High resolution limit [Å]	1.750	1.750
Rmerge	0.087	0.504
Number of reflections	81328	9257
<I/σ(I)>	8.8
Completeness [%]	83.5	79.1
Redundancy	2.8	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	Precipitant: 5 mM NiCl2 0.1 M HEPES pH 7.0 20% w/v PEG 3350 Sample in 20 mM Bis-Tris buffer, pH 7.0 Mixing 1:1