3U3W

Crystal Structure of Bacillus thuringiensis PlcR in complex with the peptide PapR7 and DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-08-29
Detector	PSI PILATUS 6M
Wavelength(s)	0.97932
Spacegroup name	P 1 21 1
Unit cell lengths	88.880, 71.088, 88.853
Unit cell angles	90.00, 115.53, 90.00

Refinement procedure

Resolution	53.192 - 2.400
R-factor	0.1816
Rwork	0.179
R-free	0.23480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qfc
RMSD bond length	0.007
RMSD bond angle	1.020
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	80.204	53.192	2.530
High resolution limit [Å]	2.400	7.590	2.400
Rmerge	0.095	0.028	0.645
Number of reflections	38014
<I/σ(I)>	7.2	18.5	1.1
Completeness [%]	97.0	94.2	97.7
Redundancy	2.7	2.7	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291.15	0.16M Calcium Acetate, 0.08M Sodium Cacodylate, 8% PEG8000, 5% Glycerol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291.15K