6BAC

Crystal Structure of Aspartate-Semialdehyde Dehydrogenase from Neisseria gonorrhoeae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2017-01-25
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	109.000, 109.000, 72.400
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.539 - 2.100
R-factor	0.1832
Rwork	0.180
R-free	0.22820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3uw3
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.539	39.539	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.072	0.033	0.500
Rmeas	0.077	0.036	0.546
Total number of observations	205075
Number of reflections	29204	373	2150
<I/σ(I)>	13.44	34.3	2.98
Completeness [%]	99.5	97.9	99.9
Redundancy	7.022	6.282	6.041
CC(1/2)	0.998	0.997	0.921

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	Microlytic MCSG1 screen, F11: 25% PEG 3350, 200mM Ammonium Sulfate, HEPES free acid/NaOH pH 7.5: NegoA.17885.a.B1.PW37925 at 21.5mg/ml: cryo: 15% EG: tray 282816F11, puck obs5-1