3QPZ

Crystal structure of the N59A mutant of the 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	2005-11-30
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	81.642, 85.368, 162.624
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.930 - 1.750
R-factor	0.18173
Rwork	0.180
R-free	0.21518
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1d9e
RMSD bond length	0.010
RMSD bond angle	1.201
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.930	39.930	1.810
High resolution limit [Å]	1.750	3.770	1.750
Rmerge	0.036	0.022	0.355
Total number of observations		50883	22278
Number of reflections	106837
<I/σ(I)>	16.3	46.5	3
Completeness [%]	92.8	99.8	65.2
Redundancy	3.97	4.18	2.98

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	297	20 mg/mL protein (in 10 mM BTP pH 7.5) mixed 1:1 with reservoir liquor containing 100 mM NaOAc (pH 4.6) and 0.6-3.0 M NaCl. Immediately prior to data collection, crystals were harvested and soaked briefly in cryoprotectant solution, comprising 20% glycerol and the reservoir solution, Vapor diffusion, hanging drop, temperature 297K