5E3M

Crystal structure of Fis bound to 27bp DNA F35 (AAATTAGTTTGAATCTCGAGCTAATTT)

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	2007-03-05
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	161.880, 43.220, 97.160
Unit cell angles	90.00, 111.52, 90.00

Refinement procedure

Resolution	40.412 - 2.886
R-factor	0.1818
Rwork	0.179
R-free	0.22590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	1.776
Data reduction software	XDS
Data scaling software	Aimless (0.5.14)
Phasing software	PHASER (1.3.2)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.412	40.410	3.040
High resolution limit [Å]	2.880	9.120	2.880
Rmerge	0.082	0.050	0.916
Rpim	0.034	0.020	0.370
Total number of observations	89910	2871	14309
Number of reflections	13581
<I/σ(I)>	13.7	27.1	2.4
Completeness [%]	94.4	96.1	99
Redundancy	6.6	5.9	7.1
CC(1/2)	0.998	0.998	0.801

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	0.2 M Sodium citrate, 0.1 M TRIS-HCl pH 8.5, 36% PEG 400