5C2C

GWS1B RubisCO: Form II RubisCO derived from uncultivated Gallionellacea species (unliganded form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2015-06-04
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	132.220, 169.310, 76.690
Unit cell angles	90.00, 119.20, 90.00

Refinement procedure

Resolution	49.363 - 2.090
R-factor	0.1685
Rwork	0.167
R-free	0.19920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lf2
RMSD bond length	0.003
RMSD bond angle	0.741
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.363	49.360	2.140
High resolution limit [Å]	2.090	9.350	2.090
Rmerge	0.126	0.037	0.849
Rmeas	0.136	0.040	0.920
Total number of observations	640295
Number of reflections	85964	987	5877
<I/σ(I)>	12.67	41.78	2.36
Completeness [%]	98.7	97.4	90.7
Redundancy	7.4		6.68

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	Protein buffer: 20 mM Tris, pH 8.0, 300 mM NaCl, 10% glycerol, 10 mM MgCl2, 20 mM NaHCO3. Protein concentration: 21 mg/ml. Crystals grew at 2:1 ratio of protein to reservoir solution (200 mM calcium acetate, 100 mM sodium cacodylate pH 6.5, 18% PEG 8000).