5K54

Human muscle fructose-1,6-bisphosphatase E69Q mutant in active R-state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-01-22
Detector	RAYONIX MX-225
Wavelength(s)	0.9184
Spacegroup name	I 41 2 2
Unit cell lengths	72.138, 72.138, 235.017
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.481 - 1.717
R-factor	0.2148
Rwork	0.214
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5et5
RMSD bond length	0.019
RMSD bond angle	1.680
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.481	1.820
High resolution limit [Å]	1.717	1.717
Rmerge	0.055	0.793
Number of reflections	33575
<I/σ(I)>	23.67	2.25
Completeness [%]	99.5	97.1
Redundancy	9.2	7
CC(1/2)	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	292	10mM magnesium chloride, 2M sodium chloride, 10% PEG6000, 10mM Tris