9HYZ

McCP in complex with photocaged nitric oxide, dark control, SSX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	293
Detector technology	PIXEL
Collection date	2023-05-17
Detector	DECTRIS EIGER2 X CdTe 9M
Wavelength(s)	0.620
Spacegroup name	P 21 3
Unit cell lengths	107.314, 107.314, 107.314
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	75.998 - 2.200
Rwork	0.192
R-free	0.23070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	2.112
Data reduction software	DIALS
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.998	2.240
High resolution limit [Å]	2.200	2.200
Number of reflections	21205	1049
<I/σ(I)>	9	1.9
Completeness [%]	100.0
Redundancy	40
CC(1/2)	0.974	0.373

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		291	Final concentrations: 20 mg/mL protein, 50 mM HEPES pH 7.5, 34 % (v/v) polyethylene glycol 550, 500 mM MES pH 6.5, 5 mM ZnSO4.