6JJL

Crystal structure of the DegP dodecamer with a modulator

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	217.152, 123.519, 140.560
Unit cell angles	90.00, 118.00, 90.00

Refinement procedure

Resolution	50.000 - 4.200
R-factor	0.2516
Rwork	0.248
R-free	0.32550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3otp
RMSD bond length	0.006
RMSD bond angle	1.096
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	4.270
High resolution limit [Å]	4.200	11.360	4.200
Rmerge	0.112	0.056	0.665
Rmeas	0.121	0.061	0.718
Rpim	0.045	0.024	0.269
Total number of observations	176600
Number of reflections	24531	1230	1227
<I/σ(I)>	9.1
Completeness [%]	99.8	96.9	100
Redundancy	7.2	6.4	7.1
CC(1/2)		0.995	0.921

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	11% PEG3350, 0.1 M tacsimate pH 3.5