3STG

Crystal structure of A58P, DEL(N59), and loop 7 truncated mutant of 3-deoxy-D-manno-octulosonate 8-phosphate synthase (KDO8PS) from Neisseria meningitidis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-09-01
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.95368
Spacegroup name	P 21 21 21
Unit cell lengths	81.690, 104.050, 149.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.990 - 2.200
R-factor	0.1992
Rwork	0.197
R-free	0.23770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3stc
RMSD bond length	0.009
RMSD bond angle	1.101
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.849	36.849	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge		0.041	0.347
Rmeas		0.045	0.373
Rpim		0.018	0.137
Total number of observations		14446	69684
Number of reflections	65469
<I/σ(I)>	18.9	41	6.9
Completeness [%]	100.0	99.3	100
Redundancy	7.3	6.4	7.4

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