2PEM

Crystal structure of RbcX in complex with substrate

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	2006-07-22
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97600
Spacegroup name	P 41 21 2
Unit cell lengths	93.207, 93.207, 412.016
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.950
R-factor	0.236
Rwork	0.235
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pen
RMSD bond length	0.012
RMSD bond angle	1.388
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]	103.142	93.250	3.110
High resolution limit [Å]	2.950	9.330	2.950
Rmerge	0.080	0.044	0.536
Total number of observations		4288	21026
Number of reflections	37874
<I/σ(I)>	5.7	9.7	1.4
Completeness [%]	96.6	92.2	97.6
Redundancy	3.7	3.3	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	1.4 M Sodium acetate, 0.1 M HEPES-NaOH pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K