2PEK

Crystal structure of RbcX point mutant Q29A

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	92.996, 92.996, 413.724
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 3.100
R-factor	0.233
Rwork	0.231
R-free	0.26000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pen
RMSD bond length	0.010
RMSD bond angle	1.273
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]	103.695	93.000	3.270
High resolution limit [Å]	3.100	9.800	3.100
Rmerge	0.077	0.033	0.485
Total number of observations		3888	17304
Number of reflections	34180
<I/σ(I)>	6.3	14.4	1.6
Completeness [%]	99.9	99.4	99.9
Redundancy	3.5	3.1	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