6SCY

U34-tRNA thiolase NcsA from Methanococcus maripaludis with its [4Fe-4S] cluster

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-07
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.980096
Spacegroup name	P 21 21 21
Unit cell lengths	54.980, 84.480, 145.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.850 - 2.810
R-factor	0.213
Rwork	0.209
R-free	0.28700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vrh
Data reduction software	XDS (20170615)
Data scaling software	XDS (20170615)
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.480	2.860
High resolution limit [Å]	2.790	2.790
Rmerge	0.183	6.890
Rmeas	0.194	7.304
Rpim	0.088	2.366
Number of reflections	17385	1150
<I/σ(I)>	7.5	0.3
Completeness [%]	99.3	91.5
Redundancy	9	9
CC(1/2)	0.997	0.146

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292.15	anaerobic conditions (glove box). 0.1M HEPES pH 7.5, 0.2 M ammonium sulfate, 18% (w/v) PEG 4000, 10% isopropanol