8Z7M

The crystal structure of AFM-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-16
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97891
Spacegroup name	P 21 21 21
Unit cell lengths	48.960, 105.459, 106.359
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.480 - 2.600
R-factor	0.2144
Rwork	0.210
R-free	0.25830
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.444
Data scaling software	XDS
Refinement software	PHENIX ((1.19_4092: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.690
High resolution limit [Å]	2.600	2.600
Number of reflections	17530	1694
<I/σ(I)>	16.2
Completeness [%]	99.8
Redundancy	13
CC(1/2)	0.990	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		289.15	30% (w/v) PEG 8000, 100 mM imidazole/Hydrochloric acid pH 8.0, and 200 mM NaCl