5QBR

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	45.339, 73.576, 53.487
Unit cell angles	90.00, 110.21, 90.00

Refinement procedure

Resolution	41.465 - 1.418
R-factor	0.1586
Rwork	0.157
R-free	0.19830
RMSD bond length	0.006
RMSD bond angle	1.019
Data scaling software	XSCALE
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.465	41.465	1.500
High resolution limit [Å]	1.420	4.230	1.420
Rmerge	0.083	0.025	0.608
Rmeas	0.097	0.029	0.716
Total number of observations	230730
Number of reflections	62097	2401	9883
<I/σ(I)>	9.93	42.57	1.8
Completeness [%]	99.5	98.9	98.5
CC(1/2)	0.998	0.999	0.423

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