9KN2

Crystallization of zinc metalloproteinase PepO from Porphyromonas gingivalis

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	2024-04-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97915
Spacegroup name	P 43 21 2
Unit cell lengths	121.190, 121.190, 199.018
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.840 - 2.040
R-factor	0.1652
Rwork	0.164
R-free	0.19010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.990
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MLPHARE
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.840	2.120
High resolution limit [Å]	2.040	2.040
Rmerge	0.128	0.836
Number of reflections	92725	8111
<I/σ(I)>	14.2	5.6
Completeness [%]	98.4	87.24
Redundancy	20.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		287.15	2.4 M ammonium sulfate, 0.1 M HEPES pH 7.0