3D1R

Structure of E. coli GlpX with its substrate fructose 1,6-bisphosphate

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	2008-02-27
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54178
Spacegroup name	P 4 2 2
Unit cell lengths	91.296, 91.296, 84.913
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.650 - 1.850
R-factor	0.17733
Rwork	0.175
R-free	0.21634
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB code 1NI9 protein atoms
RMSD bond length	0.020
RMSD bond angle	1.627
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	1.920
High resolution limit [Å]	1.850	1.850
Rmerge	0.060	0.464
Number of reflections	31306
<I/σ(I)>	40.1	7.2
Completeness [%]	100.0	100
Redundancy	13.5	13.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	26% PEG400, 0.15M CaCl2, 0.1M Hepes pH 7.5, 2.5 % PEG3350, 20mM MgCl2, 10mM Fructose 1,6 bis phosphate, 2mM L-cysteine, VAPOR DIFFUSION, HANGING DROP, temperature 295K