5F7R

ROK repressor Lmo0178 from Listeria monocytogenes bound to inducer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-27
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	57.200, 95.064, 117.144
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.850
R-factor	0.1682
Rwork	0.167
R-free	0.20029
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	in-house structure
RMSD bond length	0.009
RMSD bond angle	1.253
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.051	0.567
Number of reflections	55352
<I/σ(I)>	24.1	2.7
Completeness [%]	99.9	100
Redundancy	5.6	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		300	9.0 mg/mL protein in 0.5 M sodium chloride, 0.01 M Tris-HCl, pH 8.3 against Classics II D6 (Qiagen, 0.1 M Bis-Tris, pH 5.5, 25% w/v PEG3350)