4P3X

Structure of the Fe4S4 quinolinate synthase NadA from Thermotoga maritima

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979736
Spacegroup name	C 2 2 21
Unit cell lengths	42.920, 157.210, 93.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.140 - 1.650
R-factor	0.191
Rwork	0.189
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wzu
RMSD bond length	0.010
RMSD bond angle	1.444
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.140	1.750
High resolution limit [Å]	1.650	1.650
Number of reflections	38765
<I/σ(I)>	10.22	2.72
Completeness [%]	99.9	100
Redundancy	13.4	10.78

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	293	123 mM Tris 50 mM KCl 61% MPD 100 mM MES, pH 6.6