5C2X

Crystal structure of deoxyribose-phosphate aldolase from Colwellia psychrerythraea (tetragonal form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-02-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.969
Spacegroup name	P 41 21 2
Unit cell lengths	103.760, 103.760, 112.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.150 - 2.110
R-factor	0.1626
Rwork	0.161
R-free	0.20120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jcl
RMSD bond length	0.005
RMSD bond angle	0.813
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.150		2.160
High resolution limit [Å]	2.110	9.410	2.110
Rmerge	0.120	0.028	0.910
Rmeas	0.129	0.030	0.986
Total number of observations	207680
Number of reflections	29931	352	2185
<I/σ(I)>	12.15	46.33	2.02
Completeness [%]	82.3	72	82.2
Redundancy	6.9		6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	PEG 4000, Lithium sulfate, TRIS buffer, triethanolamine