7VGB

Crystal structure of apo prolyl oligopeptidase from Microbulbifer arenaceous

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	60.390, 125.395, 89.848
Unit cell angles	90.00, 96.84, 90.00

Refinement procedure

Resolution	44.198 - 2.227
Rwork	0.152
R-free	0.20720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mun
RMSD bond length	0.007
RMSD bond angle	1.430
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.198	2.310
High resolution limit [Å]	2.227	2.227
Rmerge	0.140	0.526
Rmeas	0.152	0.575
Rpim	0.058	0.229
Number of reflections	64538	40296
<I/σ(I)>	12.53	4.37
Completeness [%]	99.9	99.97
Redundancy	6.8	6.3
CC(1/2)	0.994	0.899

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M Trimethylamine N-oxide dihydrate, 0.1M Tris pH 8.5, 20% (w/v) Polyethylene glycol monomethyl ether 2000