9IBU

THE COLLAGEN REPEATING SEQUENCE (PRO-PRO-GLY)10 AT HIGH RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-26
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	26.923, 26.377, 182.873
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.718 - 1.250
Rwork	0.203
R-free	0.23210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.733
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.500	1.170
High resolution limit [Å]	1.100	1.100
Rmerge	0.062	0.380
Rmeas	0.058
Number of reflections	57261	9203
<I/σ(I)>	10.3	1.9
Completeness [%]	82.9	63.9
Redundancy	8.1	6.2
CC(1/2)	0.998	0.963

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	In 9 well Glass Plates (wells are vapor-connected 3 by 3). Well-A..Well-B..Well-C. In well-A: 150 muL monoglyme, in well-B: 150 muL water, in well-C: 20 muL PPG solution (6 mg/mL in acetic acid 10%).