3PFZ

Crystal structure of Cel7A from Talaromyces emersonii in complex with cellotetraose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-30
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97
Spacegroup name	P 41 21 2
Unit cell lengths	74.720, 74.720, 169.922
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.780 - 1.099
R-factor	0.1262
Rwork	0.126
R-free	0.14260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pfj
RMSD bond length	0.009
RMSD bond angle	1.504
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.800	1.140
High resolution limit [Å]	1.099	1.099
Rmerge	0.064	0.247
Number of reflections	185802
<I/σ(I)>	25.2	6.3
Completeness [%]	95.4	89.6
Redundancy	7.6	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	277	23 mg/ml Cel7A, 1.8-2.0 M ammonium sulfate, 0.1 M CAPSO pH 9.5, 10 mM cellotetraose, VAPOR DIFFUSION, HANGING DROP, temperature 277K