2QKF

Crystal structure of 3-deoxy-d-manno-octulosonate 8-phosphate synthase (KDO8PS) from Neisseria meningitidis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	2005-11-25
Detector	RIGAKU RAXIS IV
Spacegroup name	P 21 21 21
Unit cell lengths	81.515, 85.295, 162.686
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.750
R-factor	0.197
Rwork	0.196
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1d9e
RMSD bond length	0.012
RMSD bond angle	1.306
Data reduction software	d*TREK
Data scaling software	d*TREK (9.4SSI)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.810
High resolution limit [Å]	1.750	1.750
Rmerge	0.043	0.368
Number of reflections	111333
<I/σ(I)>	13.4	2.7
Completeness [%]	97.0	78.2
Redundancy	3.95	4.16

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.6	295	CRYSTALLISATION CONDITIONS: 18.6 MG/ML PROTEIN MIXED 1:1 WITH RESERVOIR LIQUOR CONTAINING 100 MM SODIUM ACETATE PH 4.60, 200 MICROMOLAR PEP, 0.6, 1.6 MOLAR SODIUM CHLORIDE, VAPOR DIFFUSION, HANGING DROP, temperature 295K