4MKV

Structure of Pisum sativum Rubisco with ABA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-08-10
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.98
Spacegroup name	P 21 2 21
Unit cell lengths	110.440, 110.230, 203.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.510 - 2.150
R-factor	0.1639
Rwork	0.162
R-free	0.19740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.130
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Refinement software	BUSTER-TNT (BUSTER 2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	110.230	48.515	2.270
High resolution limit [Å]	2.150	6.800	2.150
Rmerge		0.036	0.446
Total number of observations		11474	51625
Number of reflections	128333
<I/σ(I)>	6.6	16.2	1.5
Completeness [%]	95.5	88.5	97.4
Redundancy	2.8	2.9	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	10% PEG6000, 0.1 M HEPES, pH 7.0, vapor diffusion, hanging drop, temperature 293K