5GP9

Structural analysis of fatty acid degradation regulator FadR from Bacillus halodurans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-09
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97933
Spacegroup name	P 32 2 1
Unit cell lengths	56.873, 56.873, 200.884
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.689 - 1.755
R-factor	0.2028
Rwork	0.201
R-free	0.23540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vi0
RMSD bond length	0.021
RMSD bond angle	2.018
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.780
High resolution limit [Å]	1.750	4.750	1.750
Rmerge	0.057	0.039	0.556
Rmeas	0.061	0.042	0.608
Rpim	0.022	0.016	0.239
Total number of observations	291359
Number of reflections	38629
<I/σ(I)>	14
Completeness [%]	98.6	92.9	83
Redundancy	7.5	7.1	5.9
CC(1/2)		0.998	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	296	Tris-HCl, MgCl2, PEG 3350