5TPJ

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 41 21 2
Unit cell lengths	49.810, 49.810, 113.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.586 - 3.101
R-factor	0.2251
Rwork	0.221
R-free	0.26480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.977
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]	56.560
High resolution limit [Å]	3.100
Rmerge	0.072
Number of reflections	2927
<I/σ(I)>	21.7
Completeness [%]	100.0
Redundancy	11.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	0.2 M ammonium citrate dibasic and 30% PEG 3350