2PEQ

Crystal structure of RbcX, crystal form II

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2006-08-26
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00000
Spacegroup name	I 2 2 2
Unit cell lengths	63.505, 69.339, 98.795
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.900
R-factor	0.2
Rwork	0.197
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pen
RMSD bond length	0.013
RMSD bond angle	1.390
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	56.796	29.240	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge	0.089	0.034	0.575
Total number of observations		2459	10851
Number of reflections	17567
<I/σ(I)>	5.8	11.7	1.3
Completeness [%]	100.0	99	100
Redundancy	4.2	4	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	20% PEG 3350, 0.2 M KSCN, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K