7D4N

Crystal structure of Tmm from strain HTCC7211 soaked with DMS for 20 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	2019-03-29
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	68.654, 81.656, 97.550
Unit cell angles	90.00, 98.46, 90.00

Refinement procedure

Resolution	42.383 - 1.999
R-factor	0.1646
Rwork	0.163
R-free	0.19550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ipy
RMSD bond length	0.006
RMSD bond angle	1.122
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.070
High resolution limit [Å]	1.999	4.310	2.000
Rmerge	0.107	0.073	0.527
Rmeas	0.116	0.079	0.573
Rpim	0.044	0.031	0.224
Number of reflections	72136	7358	7185
<I/σ(I)>	7.2
Completeness [%]	100.0	100	100
Redundancy	6.6	6.6	6.3
CC(1/2)		0.987	0.886

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