6OUW

1-deoxy-D-xylulose 5-phosphate synthase (DXPS) from Deinococcus radiodurans with enamine intermediate bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-04
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9791
Spacegroup name	C 1 2 1
Unit cell lengths	129.750, 85.540, 60.572
Unit cell angles	90.00, 114.77, 90.00

Refinement procedure

Resolution	49.388 - 2.398
R-factor	0.1603
Rwork	0.158
R-free	0.19560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2o1x
RMSD bond length	0.003
RMSD bond angle	0.590
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.400	2.490
High resolution limit [Å]	2.398	2.398
Rmerge	0.139	0.420
Number of reflections	23154	2156
<I/σ(I)>	7.8
Completeness [%]	98.2
Redundancy	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		300	0.10 M MOPSO, Bis-Tris pH 6.5, 12.5% (w/v) PEG 4000, 20% (w/v) 1,2,6-hexanetriol, 20 mM DL-arginine, 20 mM DL-threonine, 20 mM DL-histidine, 20 mM DL-5-hydroxylysine, and 20 mM trans-4-hydroxy-L-proline