5GPC

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 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2015-03-11
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97933
Spacegroup name	P 1
Unit cell lengths	46.500, 76.935, 87.022
Unit cell angles	103.83, 105.48, 89.64

Refinement procedure

Resolution	19.904 - 2.800
R-factor	0.2081
Rwork	0.205
R-free	0.26560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gp9
RMSD bond length	0.004
RMSD bond angle	0.773
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	2.850
High resolution limit [Å]	2.800	7.590	2.800
Rmerge	0.101	0.045	0.608
Number of reflections	26864
<I/σ(I)>	9
Completeness [%]	96.3	94.6	96.2
Redundancy	2.1	1.9	2
CC(1/2)		0.990	0.603

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	296	HEPES, PEG 8000, ethanol