4IP1

C-terminal domain of the thiol:disulfide interchange protein DsbD, Q488K mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-12-04
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	35.107, 51.530, 85.039
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.013 - 2.470
R-factor	0.1962
Rwork	0.193
R-free	0.25510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fwf
RMSD bond length	0.003
RMSD bond angle	0.659
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.560
High resolution limit [Å]	2.470	2.470
Rmerge	0.132	0.433
Number of reflections	5345
<I/σ(I)>	9.1	1.98
Completeness [%]	89.8	70
Redundancy	4.1	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	277	21 mg/mL protein, 20% PEG4000, 0.1 M sodium citrate, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K