5HLI

Structure of Disulfide formed AbfR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9735
Spacegroup name	P 1 21 1
Unit cell lengths	46.534, 51.686, 85.935
Unit cell angles	90.00, 103.73, 90.00

Refinement procedure

Resolution	29.037 - 2.050
R-factor	0.2142
Rwork	0.212
R-free	0.24550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hbl
RMSD bond length	0.002
RMSD bond angle	0.454
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.120
High resolution limit [Å]	2.050	2.050
Number of reflections	24889
<I/σ(I)>	25.1
Completeness [%]	99.1
Redundancy	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	8% Tacsimate, 20% PEG 3350