4M0N

Crystal structure of a putative anti-sigma factor (BDI_1681) from Parabacteroides distasonis ATCC 8503 at 1.65 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-17
Detector	ADSC QUANTUM 315
Spacegroup name	C 2 2 21
Unit cell lengths	31.386, 115.242, 115.032
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.285 - 1.650
R-factor	0.184
Rwork	0.182
R-free	0.21910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4m0h
RMSD bond length	0.010
RMSD bond angle	1.419
Data reduction software	XDS
Data scaling software	XSCALE (March 15, 2012)
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.285	29.285	1.710
High resolution limit [Å]	1.650	3.550	1.650
Rmerge	0.048	0.021	0.700
Number of reflections	25388	4870	4607
<I/σ(I)>	17.42	50.4	2
Completeness [%]	98.4	99.7	93.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.200M magnesium formate, 20.00% polyethylene glycol 3350, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K