6OUV

1-deoxy-D-xylulose 5-phosphate synthase (DXPS) from Deinococcus radiodurans with methylacetylphosphonate (MAP) 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	2018-10-31
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	78.503, 125.279, 151.699
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	96.597 - 1.937
R-factor	0.1567
Rwork	0.156
R-free	0.17380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2o1x
RMSD bond length	0.003
RMSD bond angle	0.615
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]	96.600	2.010
High resolution limit [Å]	1.937	1.937
Rmerge	0.076	0.719
Number of reflections	110177	10201
<I/σ(I)>	22.4
Completeness [%]	98.6
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		300	0.1 M BES, triethanolamine pH 7.5, 15% (w/v) PEG 3000, 20% (v/v) 1,2,4-butanetriol, 1% (w/v) non-detergents sulfobetaines (NDSB)-256 (Hampton), 25 mM L-arginine, 25 mM L-threonine, 25 mM L-histidine, and 25 mM trans-4-hydroxy-L-proline