5YSZ

transcriptional regulator CelR-cellobiose complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	103.15
Detector technology	CCD
Collection date	2015-10-16
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97931
Spacegroup name	C 1 2 1
Unit cell lengths	77.577, 122.428, 47.498
Unit cell angles	90.00, 121.46, 90.00

Refinement procedure

Resolution	24.421 - 1.631
R-factor	0.1492
Rwork	0.148
R-free	0.16660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jh9
RMSD bond length	0.008
RMSD bond angle	1.075
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.11_2567)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.660
High resolution limit [Å]	1.630	4.420	1.630
Rmerge	0.084	0.071	0.202
Rmeas	0.090	0.077	0.221
Rpim	0.033	0.029	0.088
Total number of observations	346747
Number of reflections	46609	2274	2139
<I/σ(I)>	14.3
Completeness [%]	99.2	95.2	91.2
Redundancy	7.4	7	6
CC(1/2)		0.992	0.976

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	PEG3350, Tris