4RYB

Crystal structure of beta-ketoacyl-ACP synthase III (FabH) from Neisseria meningitidis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-05-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	C 2 2 21
Unit cell lengths	66.290, 96.360, 193.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.107 - 2.450
R-factor	0.203
Rwork	0.202
R-free	0.23240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dfe
RMSD bond length	0.005
RMSD bond angle	0.831
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1834))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.110	43.110	2.550
High resolution limit [Å]	2.450	8.830	2.450
Number of reflections	21912
<I/σ(I)>		18.7	4.3
Completeness [%]	95.6	91.9	96.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	296.15	200M sodium fluoride, 20% PEG 3350, 5mM TCEP, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 296.15K