4HGN

Crystal Structure of 2-keto-3-deoxyoctulosonate 8-phosphate PHOSPHOHYDROLASE from Bacteroides thetaiotaomicron

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	2007-09-12
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	37.522, 91.198, 170.067
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.640 - 1.800
Rwork	0.176
R-free	0.21830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3e8m
RMSD bond length	0.008
RMSD bond angle	1.094
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.640	1.860
High resolution limit [Å]	1.800	1.800
Number of reflections	50327
<I/σ(I)>	19.6	2.79
Completeness [%]	91.1	79.7
Redundancy	5.3	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	100 mM Hepes, 30% polyethylene glycol MME 550, 40 mM magnesium chloride. Crystal dragged through Paratone prior to flash cooling, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K