7Y1X

Crystal structure of prolyl oligopeptidase from Microbulbifer arenaceous complex with PEG400 and MES

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)	0.97944
Spacegroup name	P 1 21 1
Unit cell lengths	61.044, 65.065, 91.331
Unit cell angles	90.00, 104.95, 90.00

Refinement procedure

Resolution	31.651 - 1.670
Rwork	0.160
R-free	0.18870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mun
RMSD bond length	0.012
RMSD bond angle	2.222
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]	50.000	1.700
High resolution limit [Å]	1.670	1.670
Number of reflections	75931	7149
<I/σ(I)>	15.11
Completeness [%]	94.4
Redundancy	6.7
CC(1/2)	0.998	0.899

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	0.04 M MES monohydrate pH 6.0, 8.8% (v/v) polyethylene glycol 400