9JOP

Caseinolytic protease P from bacteria

This is a non-PDB format compatible entry.

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	2023-07-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.987
Spacegroup name	P 42
Unit cell lengths	123.640, 123.640, 107.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.213 - 2.170
R-factor	0.2025
Rwork	0.201
R-free	0.23780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sta
RMSD bond length	0.006
RMSD bond angle	0.807
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.130	2.210
High resolution limit [Å]	2.170	2.170
Rmerge	0.176	1.145
Rmeas	0.187
Rpim	0.064
Number of reflections	85170	4519
<I/σ(I)>	8.7
Completeness [%]	100.0
Redundancy	8.5	8.7
CC(1/2)	0.992	0.674

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	PEG 200, sodium cacodylate, Magnesium chloride