3F4R

Crystal structure of Wolbachia pipientis alpha-DsbA1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-05-19
Detector	ADSC QUANTUM 210
Wavelength(s)	1.1159
Spacegroup name	C 1 2 1
Unit cell lengths	71.400, 49.600, 69.700
Unit cell angles	90.00, 107.00, 90.00

Refinement procedure

Resolution	40.130 - 1.600
R-factor	0.168
Rwork	0.165
R-free	0.19200
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	1.344
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	SOLVE
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.062	0.277
Number of reflections	31005
<I/σ(I)>	21.3	3
Completeness [%]	99.2	97.4
Redundancy	3.5	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	22% PEG 3350, 0.1M Ammonium citrate pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP		293	22% PEG 3350, 0.1M Ammonium citrate pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP		293	22% PEG 3350, 0.1M Ammonium citrate pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K