4M0H

Crystal structure of a putative anti-sigma factor (BDI_1681) from Parabacteroides distasonis ATCC 8503 at 2.50 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-12-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91837, 0.97963, 0.9791
Spacegroup name	P 41 21 2
Unit cell lengths	92.560, 92.560, 131.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.449 - 2.500
R-factor	0.1921
Rwork	0.191
R-free	0.22220
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.220
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.449	29.449	2.560
High resolution limit [Å]	2.500	11.180	2.500
Rmerge		0.049	0.834
Total number of observations		1469	9037
Number of reflections	20436
<I/σ(I)>	11.2	27.1	2.1
Completeness [%]	99.7	94.4	100
Redundancy	5.7	5.4	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	4.300M sodium chloride, 0.1M HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K