4IWR

C.Esp1396I bound to a 25 base pair operator site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-06
Detector	ADSC QUANTUM 4
Wavelength(s)	0.933000
Spacegroup name	P 32
Unit cell lengths	48.020, 48.020, 218.350
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.860 - 2.400
R-factor	0.2002
Rwork	0.197
R-free	0.25990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3s8q
RMSD bond length	0.011
RMSD bond angle	1.522
Data scaling software	XSCALE
Phasing software	PHASER (2.5.1)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.863		2.500
High resolution limit [Å]	2.400	15.000	2.400
Rmerge	0.048	0.031	0.542
Number of reflections	21045	84	2134
<I/σ(I)>	13.49	36.08	1.46
Completeness [%]	95.6	81.6	85.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	289	0.1 M PCB buffer, 20 % v/v PEG 1500, 10 mM spermidine , pH 4, VAPOR DIFFUSION, HANGING DROP, temperature 289K