5TRV

Crystal structure of a de novo designed protein with curved beta-sheet

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-06-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 42 21 2
Unit cell lengths	75.530, 75.530, 50.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.730 - 2.910
R-factor	0.2535
Rwork	0.249
R-free	0.29710
RMSD bond length	0.002
RMSD bond angle	0.521
Data reduction software	iMOSFLM (7.1.0)
Data scaling software	Aimless (0.2.8)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (dev_1616)

Data quality characteristics

	Overall
Low resolution limit [Å]	41.730
High resolution limit [Å]	2.910
Rmerge	0.034
Number of reflections	3349
<I/σ(I)>	72.8
Completeness [%]	97.9
Redundancy	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	0.1 M bicine/Trizma base, pH 8.5, 10% PEG 20 000, 20% PEG MME 550 and 0.03 M of each ethylene glycol (diethyleneglycol, triethyleneglycol, tetraethyleneglycol and pentaethyleneglycol).