8V3P

CCP5 in complex with Glu-P-peptide 2 transition state analog

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	93
Detector technology	PIXEL
Collection date	2023-06-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	P 2 21 21
Unit cell lengths	65.154, 78.299, 103.373
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.140 - 2.360
R-factor	0.2152
Rwork	0.215
R-free	0.22530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.135
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]	43.140	2.450
High resolution limit [Å]	2.360	2.360
Rmerge	0.097	0.782
Rmeas	0.115	0.930
Number of reflections	22434	2327
<I/σ(I)>	12.8	2.4
Completeness [%]	100.0	100
Redundancy	6.4	6.4
CC(1/2)	0.998	0.724

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