6JCI

Crystal structure of Prolyl Endopeptidase from Haliotis discus hannai with SUAM-14746

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	195
Detector technology	PIXEL
Collection date	2018-12-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	53.570, 104.840, 137.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.003 - 1.493
R-factor	0.1791
Rwork	0.178
R-free	0.19440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qfs
RMSD bond length	0.003
RMSD bond angle	0.647
Data reduction software	XDS
Data scaling software	XDS
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]	1.490	1.490
Rmeas	0.065	1.000
Number of reflections	125569	8856
<I/σ(I)>	18.03
Completeness [%]	99.1	95.5
Redundancy	6.41	5.84
CC(1/2)	0.999	0.716

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.65	277.15	22% PEG3350,0.2 M ammonium citrate dibasic