5X12

Crystal structure of Bacillus subtilis PadR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2014-04-09
Detector	ADSC QUANTUM 270
Wavelength(s)	1.00004
Spacegroup name	C 1 2 1
Unit cell lengths	77.063, 75.480, 38.017
Unit cell angles	90.00, 96.43, 90.00

Refinement procedure

Resolution	30.000 - 1.700
R-factor	0.17184
Rwork	0.170
R-free	0.20347
Structure solution method	SAD
RMSD bond length	0.018
RMSD bond angle	1.506
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.046	0.278
Number of reflections	23797
<I/σ(I)>	38.6
Completeness [%]	99.8
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	291	20% PEG 3350, 0.1 M sodium acetate