3LG2

A Ykr043C/ fructose-1,6-bisphosphate product complex following ligand soaking

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-06-01
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	P 1 21 1
Unit cell lengths	83.302, 83.385, 104.685
Unit cell angles	90.00, 104.19, 90.00

Refinement procedure

Resolution	43.350 - 2.600
R-factor	0.22258
Rwork	0.220
R-free	0.26980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3F3K molecule A
RMSD bond length	0.016
RMSD bond angle	1.653
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.093	0.482
Number of reflections	44466
<I/σ(I)>	12	2.9
Completeness [%]	91.3	93.3
Redundancy	3	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	0.1M tri-Lithium Citrate, 15%PEG3350, 8%MPD with 0.03 mg/ml trypsin in the protein. Soak with 0.1M tri-Lithium Citrate, 15%PEG3350, 8%MPD and 100 mM Fructose-1,6-bisphosphate for 2 hours, VAPOR DIFFUSION, HANGING DROP, temperature 294K