6Z9J

Escherichia coli D-2-deoxyribose-5-phosphate aldolase - N21K mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-15
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9660
Spacegroup name	P 1 21 1
Unit cell lengths	60.504, 52.811, 80.675
Unit cell angles	90.00, 111.23, 90.00

Refinement procedure

Resolution	31.300 - 1.500
R-factor	0.1608
Rwork	0.159
R-free	0.18670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ktn
RMSD bond length	0.007
RMSD bond angle	0.931
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.310	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.035	0.540
Rmeas	0.050	0.764
Number of reflections	74834	7258
<I/σ(I)>	10	1.1
Completeness [%]	98.3	96
Redundancy	1.82
CC(1/2)	0.999	0.637

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	PEG 4000, magnesium formate, TRIS