5QBP

Crystal structure of Endothiapepsin-NAT17-347290a complex

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	45.099, 72.744, 52.191
Unit cell angles	90.00, 109.06, 90.00

Refinement procedure

Resolution	42.628 - 1.297
R-factor	0.172
Rwork	0.171
R-free	0.20730
Structure solution method	Rigid Body
RMSD bond length	0.008
RMSD bond angle	1.239
Data scaling software	XSCALE
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.627	42.627	1.380
High resolution limit [Å]	1.300	3.880	1.300
Rmerge	0.090	0.018	0.552
Rmeas	0.105	0.021	0.647
Total number of observations	271531
Number of reflections	71978	2989	8070
<I/σ(I)>	10.54	55.97	2.17
Completeness [%]	91.4	98.5	63.6
CC(1/2)	0.998	0.999	0.213

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