6Z9H

Escherichia coli D-2-deoxyribose-5-phosphate aldolase - C47V/G204A/S239D mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9688
Spacegroup name	P 1 21 1
Unit cell lengths	61.750, 53.870, 80.530
Unit cell angles	90.00, 110.68, 90.00

Refinement procedure

Resolution	38.350 - 1.720
R-factor	0.184
Rwork	0.182
R-free	0.22660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ktn
RMSD bond length	0.009
RMSD bond angle	0.944
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.410	1.780
High resolution limit [Å]	1.580	1.720
Rmerge	0.087	0.462
Rmeas	0.123	0.653
Number of reflections	51138	5131
<I/σ(I)>	8.5	2.1
Completeness [%]	96.9
Redundancy	1.76
CC(1/2)	0.983	0.503

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	PEG 3350, magnesium formate, BIS-TRIS