5TLH

Fructose-1,6-bisphosphate aldolase from rabbit muscle in complex with the inhibitor 2-naphthol 6-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	83.569, 103.141, 84.865
Unit cell angles	90.00, 98.87, 90.00

Refinement procedure

Resolution	43.927 - 2.204
R-factor	0.1513
Rwork	0.150
R-free	0.18770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qut
RMSD bond length	0.005
RMSD bond angle	0.858
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	2.250
High resolution limit [Å]	2.204	6.000	2.210
Rmerge	0.166	0.087
Number of reflections	69137
<I/σ(I)>	8.9
Completeness [%]	96.8	99.8	94.8
Redundancy	4.8	5.6	4.4
CC(1/2)		0.988	0.682

Crystallization Conditions

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