5HQM

Structure function studies of R. palustris RubisCO (R. palustris/R. rubrum chimera)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-04-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	H 3
Unit cell lengths	165.120, 165.120, 95.230
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	82.560 - 1.950
R-factor	0.1697
Rwork	0.167
R-free	0.19190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lf1
RMSD bond length	0.010
RMSD bond angle	1.090
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	82.560	82.560	1.950
High resolution limit [Å]	1.900	8.490	1.900
Rmerge	0.052	0.023	0.611
Rmeas	0.059	0.026	0.682
Total number of observations	386908
Number of reflections	76203	859	5500
<I/σ(I)>	17.19	51.55	2.34
Completeness [%]	99.6	99.5	97.7
Redundancy	5.1		5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	Reservoir solution: 0.4 M Sodium phosphate monobasic/1.6 M Potassium phosphate dibasic, 0.1 M Imidazole (pH 8.0), 0.2 M NaCl. Protein storage buffer: 20 mM Tris, pH 8.0, 300 mM NaCl, 10% Glycerol, 10 mM MgCl2, 20 mM NaHCO3.