3R4K

Crystal structure of a putative ICLR transcriptional regulator (TM1040_3717) from SILICIBACTER SP. TM1040 at 2.46 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-02-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9116,0.9796,0.9794
Spacegroup name	P 21 21 2
Unit cell lengths	203.983, 75.523, 77.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.140 - 2.460
R-factor	0.1922
Rwork	0.190
R-free	0.23120
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.070
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.8.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.140	29.140	2.520
High resolution limit [Å]	2.460	11.000	2.460
Rmerge		0.040	0.825
Total number of observations		1704	11083
Number of reflections	41482
<I/σ(I)>	7.5	21.6	1.7
Completeness [%]	94.3	85.2	97.1
Redundancy	3.5	3.5	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.3	277	0.20M CaAcetate, 20.0% PEG-3350, No Buffer pH 7.3, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K