5QBQ

Crystal structure of Endothiapepsin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-12-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918
Spacegroup name	P 1 21 1
Unit cell lengths	45.515, 74.314, 53.739
Unit cell angles	90.00, 110.55, 90.00

Refinement procedure

Resolution	42.618 - 1.697
R-factor	0.1984
Rwork	0.196
R-free	0.23690
RMSD bond length	0.006
RMSD bond angle	1.050
Data scaling software	XSCALE
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.619	42.619	1.800
High resolution limit [Å]	1.700	5.060	1.700
Rmerge	0.115	0.029	0.713
Rmeas	0.134	0.034	0.829
Total number of observations	137161
Number of reflections	36384	1435	5791
<I/σ(I)>	9.35	34.85	1.7
Completeness [%]	97.9	99.1	97
CC(1/2)	0.995	0.999	0.526

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	0.1 M ammonium acetate, 0.1 M sodium acetate, 24-30% PEG 4000; crystals obtained by streak-seeding