7D4K

Crystal structure of Tmm from Pelagibacter sp. strain HTCC7211

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	2018-07-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	69.415, 82.076, 97.907
Unit cell angles	90.00, 98.13, 90.00

Refinement procedure

Resolution	48.550 - 1.800
R-factor	0.219
Rwork	0.217
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ipy
RMSD bond length	0.006
RMSD bond angle	1.135
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.830
High resolution limit [Å]	1.796	1.800
Rmerge	0.105	0.492
Rmeas	0.126	0.107
Rpim	0.068	0.058
Total number of observations	325628
Number of reflections	98662	4991
<I/σ(I)>	5.9
Completeness [%]	98.1	98.6
Redundancy	3.3	3.3
CC(1/2)		0.969

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