1ST9

Crystal Structure of a Soluble Domain of ResA in the Oxidised Form

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Wavelength(s)	0.9791, 0.9793, 0.9184
Spacegroup name	P 65
Unit cell lengths	61.008, 61.008, 165.424
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.630 - 1.500
R-factor	0.12253
Rwork	0.123
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Se-Met Protein Model obtained by MAD methods
RMSD bond length	0.019
RMSD bond angle	1.680
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.450
High resolution limit [Å]	1.400	1.400
Number of reflections	67398
<I/σ(I)>	26
Completeness [%]	98.6	86.4
Redundancy	5.2	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	289	24-27% PEG 4000, 0.2M Ammonium Acetate, 0.1M Sodium Citrate pH 4.8 - 5.8, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 289K
1	VAPOR DIFFUSION, HANGING DROP	5.6	289	24-27% PEG 4000, 0.2M Ammonium Acetate, 0.1M Sodium Citrate pH 4.8 - 5.8, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 289K