6JYM

Crystal structure of Prolyl Endopeptidase from Haliotis discus hannai

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	190
Detector technology	PIXEL
Collection date	2018-10-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97894
Spacegroup name	P 21 21 21
Unit cell lengths	55.325, 104.955, 137.739
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.117 - 1.500
R-factor	0.1794
Rwork	0.179
R-free	0.19230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qfs
RMSD bond length	0.002
RMSD bond angle	0.457
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.530
High resolution limit [Å]	1.500	1.500
Number of reflections	125459
<I/σ(I)>	21.42
Completeness [%]	97.4
Redundancy	12.6
CC(1/2)		0.883

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277.15	20% PEG 3350 and 0.2 M ammonium citrate (dibasic)