5C5Y

Crystal structure of deoxyribose-phosphate aldolase from Colwellia psychrerythraea (hexagonal 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 61 2 2
Unit cell lengths	115.840, 115.840, 400.100
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.770 - 2.100
R-factor	0.1741
Rwork	0.173
R-free	0.19890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5c2x
RMSD bond length	0.006
RMSD bond angle	0.903
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]	49.770		2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.087	0.031	1.142
Rmeas	0.091	0.033	1.188
Total number of observations	1250142
Number of reflections	93159	1251	6628
<I/σ(I)>	21.4	66.86	2.62
Completeness [%]	99.6	98.3	97.8
Redundancy	13.4		12.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	PEG 1000, calcium acetate, imidazole, triethanolamine