5HAN

Structure function studies of R. palustris RubisCO (S59F mutant; CABP-bound)

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	2015-11-07
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9790
Spacegroup name	P 1
Unit cell lengths	75.880, 110.370, 167.360
Unit cell angles	89.87, 101.70, 105.00

Refinement procedure

Resolution	20.000 - 2.040
R-factor	0.2008
Rwork	0.197
R-free	0.23740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lf1
RMSD bond length	0.010
RMSD bond angle	1.020
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.920	48.920	2.090
High resolution limit [Å]	2.040	9.100	2.040
Rmerge	0.117	0.105	0.612
Rmeas		0.123	0.748
Number of reflections	291131	3439	16790
<I/σ(I)>	6.08	12.12	1.77
Completeness [%]	88.5	93.5	69.1
Redundancy	3.3		2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	Protein storage buffer: 20 mM Tris, pH 8.0, 300 mM NaCl, 10% Glycerol, 10 mM MgCl2, 20 mM NaHCO3. Reservoir solution: 20-24% PEG 3350, 200 mM sodium sulfate, 100 mM Bis-Tris Propane pH 7.0-8.0.