3FHK

Crystal structure of APC1446, B.subtilis YphP disulfide isomerase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-05-03
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97950, 0.9796, 0.9393
Spacegroup name	P 41 21 2
Unit cell lengths	68.161, 68.161, 302.024
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.300
R-factor	0.1928
Rwork	0.190
R-free	0.24640
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	1.017
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.390
High resolution limit [Å]	2.300	2.300
Rmerge	0.119	0.419
Number of reflections	31840
<I/σ(I)>	19.7	2.2
Completeness [%]	97.2	82.9
Redundancy	6.3	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	294	2M Ammonium Sulfate, 100mM Tris, 5% PEP 629., pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K