3EMY

Crystal structure of Trichoderma reesei aspartic proteinase complexed with pepstatin A

Replaces:  3C9Y

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE D03B-MX1
Synchrotron site	LNLS
Beamline	D03B-MX1
Temperature [K]	90
Detector technology	CCD
Collection date	2006-01-01
Detector	MAR CCD 165 mm
Wavelength(s)	1.50
Spacegroup name	P 43 21 2
Unit cell lengths	74.276, 74.276, 160.027
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.468 - 1.850
R-factor	0.1434
Rwork	0.141
R-free	0.18340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.024
RMSD bond angle	2.041
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.468	1.890
High resolution limit [Å]	1.850	1.850
Number of reflections	37688
Completeness [%]	96.3	95

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	15% PEG3350, 50MM potassium phosphate buffer, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K