2QUT

Dihydroxyacetone phosphate enamine intermediate in fructose-1,6-bisphosphate aldolase from rabbit muscle

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	2003-06-01
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	82.770, 102.912, 84.235
Unit cell angles	90.00, 98.48, 90.00

Refinement procedure

Resolution	50.000 - 1.880
Rwork	0.159
R-free	0.19100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zah
RMSD bond length	0.005
RMSD bond angle	1.247
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.730
High resolution limit [Å]	1.670	1.670
Number of reflections	138944
<I/σ(I)>	15.2
Completeness [%]	85.9	43
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	296	sodium HEPES, PEG 4000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K