1GQN

Native 3-dehydroquinase from Salmonella typhi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X31
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X31
Temperature [K]	277
Detector technology	IMAGE PLATE
Collection date	1994-10-15
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	48.780, 112.330, 42.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	11.750 - 1.780
Rwork	0.199
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	COMPLEXED 3-DEHYDROQUINASE STRUCTURE SOLVED MIR METHODS (ON HOLD AS 1QFE.PDB)
RMSD bond length	0.018
RMSD bond angle	0.038
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	11.750	1.860
High resolution limit [Å]	1.780	1.780
Rmerge		0.038
Number of reflections	22422
<I/σ(I)>		3
Completeness [%]	97.2	83
Redundancy	4.12	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6		PEG 4000 (1:3, W/V), 100 MM CITRATE-PHOSPHATE PH 5.0 TO 6.5, PRECIPITANT TO BUFFER RATIO >> 4:6 TO 3:7