5NHI

Crystal structure of the Escherichia coli N-terminal domain of DsbD (nDsbD) without the cap-loop region

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2015-01-10
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	37.332, 81.338, 46.394
Unit cell angles	90.00, 100.66, 90.00

Refinement procedure

Resolution	39.771 - 2.600
R-factor	0.2543
Rwork	0.252
R-free	0.29170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pfu
RMSD bond length	0.003
RMSD bond angle	0.721
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.771	39.771	2.280
High resolution limit [Å]	2.200	4.740	2.200
Rmeas	0.257
Rpim	0.161	0.106	0.343
Number of reflections	9880
<I/σ(I)>	4.6
Completeness [%]	70.9	81	35.4
Redundancy	1.9	2	1.5
CC(1/2)		0.967	0.782

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5	289	28% PEG 4000, 0.1M ammonium sulphate, 0.1M sodium acetate pH 5.0