8JBR

Structure of McyA2-CAPCP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2021-07-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9785
Spacegroup name	I 41
Unit cell lengths	173.990, 173.990, 78.033
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.550 - 2.500
R-factor	0.2669
Rwork	0.265
R-free	0.30510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.910
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.590	2.590
High resolution limit [Å]	2.500	2.500
Number of reflections	40435
<I/σ(I)>	19.058
Completeness [%]	100.0	98.4
Redundancy	9.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	17% PEG 3350, 0.2 M lithium sulfate , 0.1 M Tris pH 8.0