5K7F

Crystal structure of apo AibR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-08-27
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0003
Spacegroup name	P 1 21 1
Unit cell lengths	39.664, 95.225, 62.051
Unit cell angles	90.00, 105.55, 90.00

Refinement procedure

Resolution	38.210 - 1.700
R-factor	0.208
Rwork	0.206
R-free	0.24230
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.022
Data reduction software	XDS
Data scaling software	Aimless (0.3.11)
Phasing software	SHELXCD
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.210	38.210	1.730
High resolution limit [Å]	1.700	9.000	1.700
Rmerge	0.140	0.052	0.712
Number of reflections	48521
<I/σ(I)>	11.3
Completeness [%]	99.4	99.2	99.6
Redundancy	6.3	6.6	6.3
CC(1/2)	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Tris-HCL pH 7.4, 0.2 M ammonium acetate, 20 % PEG 3350