7VGC

Crystal structure of prolyl oligopeptidase from Microbulbifer arenaceous complex with a transition state analog inhibitor ZPR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17B1
Synchrotron site	SSRF
Beamline	BL17B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-27
Detector	DECTRIS PILATUS3 S 2M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	62.108, 65.622, 91.765
Unit cell angles	90.00, 105.29, 90.00

Refinement procedure

Resolution	30.960 - 2.722
Rwork	0.195
R-free	0.27080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7vgb
RMSD bond length	0.004
RMSD bond angle	1.242
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.960	2.820
High resolution limit [Å]	2.722	2.722
Number of reflections	18620	6850
<I/σ(I)>	5.75
Completeness [%]	96.3
Redundancy	5.1
CC(1/2)	0.924	0.924

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.04M MES monohydrate pH 6.0, 8.8% (v/v) Polyethylene glycol 400