1VI0

Crystal structure of a transcriptional regulator

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 32-ID
Synchrotron site	APS
Beamline	32-ID
Detector technology	CCD
Detector	MARRESEARCH
Wavelength(s)	0.9795, 0.9641
Spacegroup name	P 21 21 21
Unit cell lengths	56.404, 67.436, 98.854
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.870 - 1.650
Rwork	0.231
R-free	0.27800
Structure solution method	Se-Met MAD phasing
RMSD bond length	0.018
RMSD bond angle	2.500 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (4.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.870	1.740
High resolution limit [Å]	1.650	1.650
Rmerge	0.070	0.933
Number of reflections	44220
<I/σ(I)>	8.7	1.5
Completeness [%]	96.9	89.7
Redundancy	5.7	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	HEPES	10 (mM)	pH7.5
2	1	drop		150 (mM)
3	1	drop	methionine	10 (mM)
4	1	drop	glycerol	10 (%)
5	1	drop	dithiothreitol	5 (mM)
6	1	drop	protein	10 (mg/ml)