3F4W

The 1.65A Crystal Structure of 3-hexulose-6-phosphate synthase from Salmonella typhimurium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2007-02-18
Detector	MAR CCD 300
Wavelength(s)	0.9787
Spacegroup name	P 4
Unit cell lengths	108.971, 108.971, 36.702
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.730 - 1.650
R-factor	0.214
Rwork	0.213
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1q6o
RMSD bond length	0.004
RMSD bond angle	0.877
Data scaling software	d*TREK
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.730	48.730	1.710
High resolution limit [Å]	1.650	3.550	1.650
Rmerge	0.064	0.027	0.316
Rmeas	0.064
Total number of observations	164432	19665	10542
Number of reflections	49539
<I/σ(I)>	9.6	29.3	2.7
Completeness [%]	94.3	99.3	70.7
Redundancy	3.21	3.62	2.66

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	295	0.7M sodium malonate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K