5L33

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	2016-01-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	28.250, 34.360, 100.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.195 - 2.000
R-factor	0.1737
Rwork	0.172
R-free	0.20130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.875
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]	50.195
High resolution limit [Å]	2.000
Number of reflections	6503
<I/σ(I)>	24.6
Completeness [%]	92.3
Redundancy	7.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1 M sodium MOPS/HEPES, pH 7.5, 12.5% PEG 1000, 12.5% PEG 3350 and 12.5% 2-methyl-2,4-pentanediol and 0.2 M of amino acids (sodium glutamate, DL-alanine, glycine, DL-lysine HCl and DL-serine)