9I99

THE COLLAGEN REPEATING SEQUENCE (PRO-PRO-GLY)10 AT AMBIENT PRESSURE AND TEMPERATURE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID27
Synchrotron site	ESRF
Beamline	ID27
Temperature [K]	298
Detector technology	PIXEL
Collection date	2022-02-15
Detector	DECTRIS EIGER2 X CdTe 9M
Wavelength(s)	0.410
Spacegroup name	P 21 21 21
Unit cell lengths	27.030, 26.470, 183.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.449 - 1.600
Rwork	0.218
R-free	0.24810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.472
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]	25.450	1.640
High resolution limit [Å]	1.600	1.600
Rmerge	0.099	0.360
Number of reflections	28424	2204
<I/σ(I)>	4.4	1.52
Completeness [%]	84.5	86.5
Redundancy	3.9	4.3
CC(1/2)	0.997	0.949

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	IN a three-well (connected as well#1-well#2-well#3) glass plate: 20 mu-L PPG solution (10mg/mL in acetic acid 10%) in well#1. 150 mu-L Water in well#2 and 150 mu-L monoglyme in well#3. Monoglyme diffuses in well#2 then well#1. Crystals as small cubes in a week.