9I26

inactive Form II Rubisco from Rhodospirillum rubrum

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 41 21 2
Unit cell lengths	78.980, 78.980, 277.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.450 - 2.300
R-factor	0.2048
Rwork	0.204
R-free	0.22630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.442
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]	29.450	29.450	2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.131	0.031	1.364
Rmeas	0.134	0.031	1.389
Number of reflections	40094	526	2898
<I/σ(I)>	24.95
Completeness [%]	99.8
Redundancy	26.38
CC(1/2)	1.000	1.000	0.656

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	289	Inactive CbbM in 20 mM Tris buffer (pH 8.5), containing 100 mM NaCl was mixed with condition comprised of 1.2 M ammonium chloride, 100 mM MES (pH 6), 20 %(w/v) PEG6000 in a 1:1 ratio with a final drop volume of 1 micro liter. The mother liquor was supplemented with 30% (v/v) PEG200, before the crystals were plunge frozen in liquid nitrogen