4FSC

Crystal Structure of Bacillus thuringiensis PlcR in its apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-12-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98011
Spacegroup name	P 31
Unit cell lengths	99.589, 99.589, 137.850
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	53.840 - 3.650
R-factor	0.24
Rwork	0.238
R-free	0.27630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qfc
RMSD bond length	0.008
RMSD bond angle	1.060
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.3.0)
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	86.247	53.843	3.850
High resolution limit [Å]	3.650	11.540	3.650
Rmerge	0.073	0.036	0.533
Number of reflections	16981
<I/σ(I)>	9.8	10.2	1.4
Completeness [%]	99.7	99.2	98.9
Redundancy	4.6	4.7	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	291.15	0.1M Sodium Chloride, 0.1M tri-Sodium citrate, 40% PEG400, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 291.15K