9I27

activated Form II Rubisco from Rhodospirillum rubrum with bound Magnesium and CABP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9762
Spacegroup name	P 32 2 1
Unit cell lengths	133.800, 133.800, 151.570
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.590 - 2.300
R-factor	0.1983
Rwork	0.198
R-free	0.21660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.650
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.590	29.590	2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.192	0.053	1.255
Rmeas	0.201	0.056	1.311
Number of reflections	69625	828	5111
<I/σ(I)>	12.28
Completeness [%]	99.4
Redundancy	11.5
CC(1/2)	0.996	0.998	0.805

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.3	289	Crystallization of activated CbbM in buffer containing 20 mM Tris (pH 8.5), 100 mM NaCl, 0.2 mM CABP, and 10 mM sodium bicarbonate was mixed with a condition containing 200 mM Bis-Tris propane (pH 7.3) and 20 % (w/v) PEG4000. Prior to plung freezing the crystals in liquid nitrogen the mother liquor was supplemented with 33 % (v/v) PEG200.