9HTT

McCP in complex with photocaged nitric oxide, 1.44 s, 0.19 microjoule, 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	2021-09-30
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.00
Spacegroup name	P 21 3
Unit cell lengths	107.321, 107.321, 107.321
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	75.890 - 1.750
Rwork	0.167
R-free	0.19940
Structure solution method	MIRAS
RMSD bond length	0.012
RMSD bond angle	2.528
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]	75.890	1.780
High resolution limit [Å]	1.750	1.750
Number of reflections	41713	2043
<I/σ(I)>	8.2	0.5
Completeness [%]	100.0	100
Redundancy	121.2
CC(1/2)	0.997	0.294

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.