1P3W

X-ray crystal structure of E. coli IscS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	103
Detector technology	CCD
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	73.709, 101.974, 108.617
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	5.000 - 2.100
R-factor	0.206
Rwork	0.206
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	T.m. Nifs
RMSD bond length	0.006 *
RMSD bond angle	1.390 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	500.000 *	2.270
High resolution limit [Å]	2.100	2.100
Rmerge	0.068 *	0.245 *
Total number of observations	146645 *
Number of reflections	46748
<I/σ(I)>	7.1	2.7
Completeness [%]	96.9 *	93.3
Redundancy	3.2	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5 *	295.1	PEG, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 22.1K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG10000	12 (%(w/v))
2	1	reservoir	PEG2000	20 (%(w/v))
3	1	reservoir	Tris-HCl	0.1 (M)	pH9.
4	1	reservoir	sodium citrate	70 (mM)	pH6.5