9VMJ

Crystal structure of TeGH116 from Thermosynechococcus elongatus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-10-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	266.847, 55.299, 175.918
Unit cell angles	90.00, 129.72, 90.00

Refinement procedure

Resolution	26.656 - 2.200
Rwork	0.147
R-free	0.17420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.843
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.656	26.640	2.240
High resolution limit [Å]	2.200	12.050	2.200
Rmerge	0.075	0.023	0.376
Rmeas	0.105	0.032	0.526
Rpim	0.073	0.022	0.367
Number of reflections	97859	598	4903
<I/σ(I)>	9	19.7	2.7
Completeness [%]	96.9	86	98.8
Redundancy	3.7	3.1	3.8
CC(1/2)	0.996	0.998	0.849

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.8	291	1M Potassium sodium tartrate tetrahydrate, 0.1M Bis-Tris propane pH 6.8