3JRG

Crystal structure of Fis bound to 27 bp non consensus sequence DNA F18

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	43.150, 93.160, 154.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.810 - 3.110
R-factor	0.24
Rwork	0.237
R-free	0.28900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3iv5
RMSD bond length	0.006
RMSD bond angle	1.377
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	0.142	0.096	0.546
Number of reflections	11836
<I/σ(I)>	7.3
Completeness [%]	99.2	100	94.5
Redundancy	9	11	6.2

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