3PFX

Crystal structure of Cel7A from Talaromyces emersonii in complex with cellobiose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-11
Detector	ADSC QUANTUM 315
Wavelength(s)	1
Spacegroup name	P 41 21 2
Unit cell lengths	74.706, 74.706, 169.209
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.143 - 1.262
R-factor	0.1317
Rwork	0.132
R-free	0.14620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pfj
RMSD bond length	0.010
RMSD bond angle	1.517
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	Inner shell	Outer shell
Low resolution limit [Å]	31.143	1.310	1.280
High resolution limit [Å]	1.260	1.280	1.260
Rmerge	0.050	0.166	0.185
Number of reflections	127698
<I/σ(I)>	37	12.9	11.3
Completeness [%]	98.9	99.7	87.3
Redundancy	9.3	9.2	8.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	277	22 mg/ml Cel7A, 50 mM cellobiose, 1.8-2.0 M ammonium sulfate, 0.1 M CAPSO, pH 9.5, 4 degree C, VAPOR DIFFUSION, HANGING DROP, temperature 277K