7D4M

Crystal structure of Tmm from strain HTCC7211 soaked with DMS for 5 min

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	69.025, 81.837, 97.929
Unit cell angles	90.00, 98.12, 90.00

Refinement procedure

Resolution	44.171 - 1.786
R-factor	0.1636
Rwork	0.163
R-free	0.18240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ipy
RMSD bond length	0.006
RMSD bond angle	1.158
Data scaling software	HKL-2000
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.860
High resolution limit [Å]	1.786	3.880	1.800
Rmerge	0.068	0.046	0.310
Rmeas	0.074	0.050	0.336
Rpim	0.029	0.020	0.127
Number of reflections	98586	9752	9895
<I/σ(I)>	18
Completeness [%]	97.7	94.9	98.6
Redundancy	6.4	5.9	6.9
CC(1/2)		0.997	0.982

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M ammonium citrate tribasic, 0.1 M imidazole (pH 7.0) and 20% (w/v) polyethylene glycol monomethyl ether 2000