4HGP

Crystal Structure of 2-keto-3-deoxyoctulosonate 8-phosphate phosphohydrolase from Haemophilus influenzae in complex with transition state mimic

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2010-01-14
Detector	Bruker Platinum 135
Wavelength(s)	1.54
Spacegroup name	I 4
Unit cell lengths	79.846, 79.846, 52.151
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.463 - 1.800
R-factor	0.1502
Rwork	0.147
R-free	0.17320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1k1e
RMSD bond length	0.014
RMSD bond angle	1.136
Data reduction software	PROTEUM PLUS (PLUS)
Data scaling software	PROTEUM PLUS (PLUS)
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.500	1.890
High resolution limit [Å]	1.800	1.800
Number of reflections	14655
<I/σ(I)>	13.68	2.4
Completeness [%]	95.6	91.4
Redundancy	7.9	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	290	100 mM Tris, 30% polyethylene glycol 3350. Crystal soaked with 20 mM NaVN4, 20 mM KDO for 3 days. Crystal dragged through Paratone prior to flash cooling, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K