3PFJ

Crystal structure of Cel7A from Talaromyces emersonii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-03
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00
Spacegroup name	P 41 21 2
Unit cell lengths	74.592, 74.592, 169.302
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.326 - 1.361
R-factor	0.133
Rwork	0.133
R-free	0.14450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1q9h
RMSD bond length	0.011
RMSD bond angle	1.465
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]	42.326	1.410
High resolution limit [Å]	1.361	1.361
Rmerge	0.092	0.290
Number of reflections	101261
<I/σ(I)>	26.8	8.3
Completeness [%]	98.4	100
Redundancy	12.8	11

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	23 mg/ml Cel7A, 1.8-2.0 M ammonium sulfate, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K