2PEJ

Crystal structure of RbcX point mutant Y17A/Y20L

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	P 41 21 2
Unit cell lengths	93.446, 93.446, 411.544
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 3.400
R-factor	0.255
Rwork	0.253
R-free	0.29400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pen
RMSD bond length	0.010
RMSD bond angle	1.319
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	103.142	93.250	3.580
High resolution limit [Å]	3.400	10.750	3.400
Rmerge	0.089	0.066	0.503
Total number of observations		2925	13338
Number of reflections	26126
<I/σ(I)>	3.4	7.4	1.5
Completeness [%]	99.6	98.8	99.8
Redundancy	3.4	3	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	1.5-2.5 M Sodium acetate, 0.1 M HEPES-NaOH pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K