4BC9

MAMMALIAN ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE: WILD-TYPE, ADDUCT WITH CYANOETHYL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	CCD
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 1
Unit cell lengths	60.910, 98.620, 106.280
Unit cell angles	90.92, 89.84, 95.66

Refinement procedure

Resolution	54.060 - 2.410
R-factor	0.18695
Rwork	0.186
R-free	0.24767
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bby
RMSD bond length	0.013
RMSD bond angle	1.650
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.7.0027)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.000	2.500
High resolution limit [Å]	2.400	2.400
Rmerge	0.120	0.580
Number of reflections	92832
<I/σ(I)>	8.9	2.4
Completeness [%]	97.7	97
Redundancy	4.2	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	CRYSTALS WERE OBTAINED USING VAPOR-DIFFUSION SITTING-DROP AT 20 DEGREES C BY MIXING EQUAL VOLUMES OF 10 MG PROTEIN/ML IN 50 MM NACL, 5% (V/V) GLYCEROL, 50 MM TRIS/HCL PH 8.0 AND OF 30% (W/V) PEG1500 IN 100 MM NA/HEPES PH 7.5.