2B6M

Structure of the DsbA mutant (P31A-C33A)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-04-30
Detector	MARRESEARCH
Wavelength(s)	0.97951
Spacegroup name	P 32
Unit cell lengths	56.047, 56.047, 114.038
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 - 2.650
Rwork	0.240
R-free	0.25840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	reduced wild type DsbA
RMSD bond length	0.009
RMSD bond angle	1.274
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]		2.790
High resolution limit [Å]	2.650	2.650
Rmerge	0.074	0.549
Number of reflections	11635
<I/σ(I)>	8.5	1.5
Completeness [%]	99.9	100
Redundancy	5.6	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.2	293	PEG 3350, ammonium phosphate, pH 8.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K