5TLW

Fructose-1,6-bisphosphate aldolase from rabbit muscle in complex with the inhibitor 1-phosphate-benzene 4-bisphosphonate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-09-14
Detector	RAYONIX MX300HE
Wavelength(s)	0.97949
Spacegroup name	P 1 21 1
Unit cell lengths	83.857, 102.707, 84.905
Unit cell angles	90.00, 98.54, 90.00

Refinement procedure

Resolution	43.809 - 2.290
R-factor	0.1533
Rwork	0.152
R-free	0.19110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qut
RMSD bond length	0.003
RMSD bond angle	0.574
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.330
High resolution limit [Å]	2.290	6.210	2.290
Rmerge	0.152	0.073	0.827
Rmeas	0.176
Rpim	0.095
Total number of observations	191921
Number of reflections	59195
<I/σ(I)>	11.5
Completeness [%]	93.1	99.6	85.7
Redundancy	3.2	3.7	2.6
CC(1/2)		0.992	0.558

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	296	0.1M Sodium HEPES, 17.5% PEG 4000