7WAB

Crystal structure of the prolyl endoprotease, PEP, from Aspergillus niger

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	95
Detector technology	CCD
Collection date	2010-06-22
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97
Spacegroup name	P 4 21 2
Unit cell lengths	144.517, 144.517, 56.542
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.140 - 1.750
R-factor	0.1654
Rwork	0.164
R-free	0.19310
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless (0.5.17)
Phasing software	MOLREP
Refinement software	PHENIX (1.19)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.530	44.530	1.780
High resolution limit [Å]	1.750	9.090	1.750
Rmerge	0.061	0.034	0.422
Rmeas	0.066	0.037	0.490
Rpim	0.022	0.012	0.245
Total number of observations		3224	8981
Number of reflections	107457	441	2491
<I/σ(I)>	17.5	32.4	1.8
Completeness [%]	93.2	88.2	75.6
Redundancy	7.2	7.3	3.6
CC(1/2)	0.998	0.999	0.810

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	2.5	293	0.1M glycine buffer pH 2.5, 2.72M NaCl, 3% isopropanol