6MSW

Crystal structure of BH1352 2-deoxyribose-5-phosphate from Bacillus halodurans, K184L mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	298
Detector technology	PIXEL
Collection date	2017-10-23
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97872
Spacegroup name	C 1 2 1
Unit cell lengths	240.779, 55.125, 176.297
Unit cell angles	90.00, 127.71, 90.00

Refinement procedure

Resolution	29.976 - 2.169
R-factor	0.193
Rwork	0.193
R-free	0.21090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6d33
RMSD bond length	0.004
RMSD bond angle	0.618
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.210
High resolution limit [Å]	2.169	2.170
Rmerge	0.077	0.734
Rpim	0.042	0.405
Number of reflections	97428	4866
<I/σ(I)>	17.75	2.11
Completeness [%]	100.0	100
Redundancy	4.2	4.2
CC(1/2)		0.815

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	20% PEG3350, 0.2 M magnesium chloride, 0.1 M Bis-Tris pH 5.5, 10 mM acetaldehyde