3JRI

Crystal structure of Fis bound to 27 bp non consensus sequence DNA F23

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-04-27
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	43.222, 92.635, 154.863
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.560 - 3.110
R-factor	0.232
Rwork	0.230
R-free	0.27100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3iv5
RMSD bond length	0.015
RMSD bond angle	1.842
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	90.000	90.000	3.210
High resolution limit [Å]	3.100	6.680	3.100
Rmerge	0.144	0.090	0.605
Number of reflections	11811
<I/σ(I)>	8.2
Completeness [%]	99.7	99.8	97.6
Redundancy	6.4	6.1	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	0.3 M Sodium citrate, 0.1 M TRIS-HCl pH 8.5, 36% PEG 400, vapor diffusion, hanging drop, temperature 277K