1SU9

Reduced structure of the soluble domain of ResA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Wavelength(s)	0.8856
Spacegroup name	P 21 21 21
Unit cell lengths	47.522, 59.653, 110.061
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.200 - 1.950
R-factor	0.181
Rwork	0.181
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Oxidised structure of ResA (PDB code: 1ST9) with all cysteines mutated to alanine.
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.200	2.020
High resolution limit [Å]	1.950	1.950
Number of reflections	23398
<I/σ(I)>	21	5.3
Completeness [%]	99.9	99.9
Redundancy	17

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	289	27-32% PEG4000, 0.2M Ammonium Acetate, 0.1M Sodium Citrate pH 5.8, 40mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 289K