6C9E

Crystal structure of Cysteine desulfurase from Legionella pneumophila Philadelphia 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2018-01-12
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	60.400, 71.150, 113.470
Unit cell angles	90.00, 102.36, 90.00

Refinement procedure

Resolution	44.689 - 1.550
R-factor	0.1406
Rwork	0.140
R-free	0.16370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j8q as per Morda
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX ((1.13_2998))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.689	44.689	1.590
High resolution limit [Å]	1.550	6.930	1.550
Rmerge	0.057	0.027	0.443
Rmeas	0.060	0.028	0.510
Number of reflections	136069	1611	9992
<I/σ(I)>	25.71	92.47	2.62
Completeness [%]	99.9	99.4	99.8
Redundancy	11.418	21.501	3.964
CC(1/2)	1.000	1.000	0.805

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	285	RigakuReagents JCSG+ B4: 10% PEG 8000, 8% Ethylene glycol, 100Mm HEPES free acid/NaOH pH 7.5: LepnA.01104.a.B1.PS38388 at 21.26mg/ml + 3mM Alanine: cryo: 15% EG: tray297375 b4: puck ugh2-4