3O14

Crystal structure of an anti-ECFsigma factor, ChrR (Maqu_0586) from MARINOBACTER AQUAEOLEI VT8 at 1.70 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-13
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97936
Spacegroup name	P 1
Unit cell lengths	44.105, 45.773, 65.892
Unit cell angles	75.96, 71.08, 63.35

Refinement procedure

Resolution	29.402 - 1.700
R-factor	0.154
Rwork	0.152
R-free	0.18720
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.519
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.402	29.402	1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge		0.046	0.317
Total number of observations		1020	6751
Number of reflections	46352
<I/σ(I)>	7.4	9.4	2.4
Completeness [%]	97.3	97.4	95.8
Redundancy	2	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	10.9	277	0.2000M lithium sulfate, 2.5000M ammonium sulfate, 0.1M CAPS pH 10.9, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K