4U0O

Crystal structure of Thermosynechococcus elongatus Lipoyl Synthase 2 complexed with MTA and DTT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-02-07
Detector	PSI PILATUS 6M
Wavelength(s)	0.97950
Spacegroup name	C 2 2 21
Unit cell lengths	70.880, 162.800, 58.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.988 - 1.600
R-factor	0.2045
Rwork	0.203
R-free	0.24150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4u0p
RMSD bond length	0.017
RMSD bond angle	1.958
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	64.990	64.990	1.640
High resolution limit [Å]	1.600	7.160	1.600
Rmerge	0.037	0.031	0.601
Rpim	0.025	0.023	0.362
Total number of observations	194222	2447	15319
Number of reflections	44264
<I/σ(I)>	15	42.4	2.1
Completeness [%]	98.2	98.4	98.6
Redundancy	4.4	4.3	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	100 mM bicine pH 8.5, 15% PEG 20,000, 3% dextran sulfate sodium salt