3LS6

Crystal structure of 3,4-Dihydroxy-2-butanone 4-phosphate synthase in complex with sulfate and zinc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-10-30
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.542
Spacegroup name	C 2 2 21
Unit cell lengths	66.276, 77.161, 146.827
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.860
R-factor	0.16104
Rwork	0.159
R-free	0.19662
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1g57
RMSD bond length	0.012
RMSD bond angle	1.322
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0070)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.410	1.920
High resolution limit [Å]	1.860	1.860
Rmerge	0.052	0.192
Number of reflections	31811
<I/σ(I)>	29.2	9.32
Completeness [%]	99.3	99.7
Redundancy	5.2	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	30% PEG 5000 MME, 100mM MES Sodium Salt, 200mM Ammonium sulfate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K