6P7J

Crystal structure of Latency Associated Peptide unbound to TGF-beta1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	C 2 2 2
Unit cell lengths	51.060, 154.900, 62.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.310 - 3.501
R-factor	0.2897
Rwork	0.288
R-free	0.32150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vqp
Data reduction software	MOSFLM
Data scaling software	Aimless (0.7.3)
Phasing software	MR-Rosetta
Refinement software	PHENIX (1.15rc3_3435)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.310	36.310	3.830
High resolution limit [Å]	3.500	8.570	3.500
Rmerge	0.345	0.076	1.690
Rmeas	0.406	0.087	2.034
Rpim	0.209	0.042	1.106
Total number of observations	12411	986	2668
Number of reflections	3332	256	773
<I/σ(I)>	3.1	6.7	1.1
Completeness [%]	99.6	98.3	99.5
Redundancy	3.7	3.9	3.5
CC(1/2)	0.899	0.988	0.467

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	4.6	293	Reservoir composition: 20% PEG3350, 300 mM NaAc pH 4.6