4J6W

Crystal structure of HFQ from Pseudomonas aeruginosa in complex with CTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-10
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.91841
Spacegroup name	P 21 21 21
Unit cell lengths	61.280, 74.550, 109.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.800
R-factor	0.1951
Rwork	0.193
R-free	0.24060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1u1t
RMSD bond length	0.009
RMSD bond angle	1.476
Data reduction software	PROCESS
Data scaling software	SCALA
Phasing software	PHENIX (1.8.1_1168)
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.058	0.379
Number of reflections	54468
<I/σ(I)>	11.56	2.77
Completeness [%]	97.8	81.93
Redundancy	3.5	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	200 mm ammonium sulphate, 200 mm NaCl, 50 mm TRIS-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K