4HDD

Domain swapping in the cytoplasmic domain of the Escherichia coli rhomboid protease

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 12.3.1
Synchrotron site	ALS
Beamline	12.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-09-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793, 1.116
Spacegroup name	I 4 2 2
Unit cell lengths	51.760, 51.760, 91.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.058 - 1.350
R-factor	0.1629
Rwork	0.162
R-free	0.18200
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.437
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX ((1.7.3_928))
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.058		1.390
High resolution limit [Å]	1.350	6.040	1.350
Rmerge	0.032	0.029	0.481
Number of reflections	25782	271	1882
<I/σ(I)>	14.83	37.57	2.07
Completeness [%]	98.6	87.7	98.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.9	298	0.49M sodium phosphate monobasic monohydrate - 0.91M potassium phosphate dibasic, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 298K
2	VAPOR DIFFUSION, HANGING DROP	4.6	298	100mM sodium acetate trihydrate, 0.2M ammonium sulfate, 25% PEG 4000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K