8V3N

CCP5 in complex with Glu-P-Glu transition state analog

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	93
Detector technology	PIXEL
Collection date	2022-02-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 2 21 21
Unit cell lengths	65.114, 80.414, 103.229
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.110 - 2.300
R-factor	0.1945
Rwork	0.193
R-free	0.22180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.556
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	103.230	2.350
High resolution limit [Å]	2.270	2.270
Rmerge	0.306	1.869
Rmeas	0.334	1.992
Number of reflections	25523	2238
<I/σ(I)>	11.1	2.2
Completeness [%]	99.4	95.8
Redundancy	12.9	12.5
CC(1/2)	0.961	0.613

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	0.15 M DL-Malic acid, pH7.0, 0.1 M imidazole, pH7.0, 16% PEG MME 550