3T6N

Crystal Structure of Transcriptional Regulator

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.978
Spacegroup name	P 21 21 2
Unit cell lengths	78.699, 118.866, 42.137
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.356 - 2.314
R-factor	0.2064
Rwork	0.203
R-free	0.27060
RMSD bond length	0.008
RMSD bond angle	1.102
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	1.900
High resolution limit [Å]	1.830	3.940	1.830
Rmerge	0.049	0.027	0.398
Number of reflections	57435
<I/σ(I)>	12.2
Completeness [%]	98.4	99.2	96
Redundancy	2.9	3.2	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	HEPES 0.1M, PEG 4000 24%, MgCl2 0.2M, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K