7LJP

Structure of Thermotoga maritima SmpB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-06
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9786
Spacegroup name	P 65 2 2
Unit cell lengths	92.539, 92.539, 307.943
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.310 - 2.100
R-factor	0.186
Rwork	0.184
R-free	0.21530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1p6v
RMSD bond length	0.014
RMSD bond angle	1.166
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.520	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.083	0.534
Rmeas	0.086	0.546
Rpim	0.018	0.116
Number of reflections	46791	3737
<I/σ(I)>	22.3	6
Completeness [%]	100.0	100
Redundancy	21.5	22
CC(1/2)	0.999	0.967

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.25	291	100 mM MES, pH 6.25, 2.0 M ammonium sulfate, 10% v/v 1,4-dioxane