6YXL

Crystal structure of ACPA F3

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	210
Detector technology	PIXEL
Collection date	2018-11-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.91840
Spacegroup name	P 41 21 2
Unit cell lengths	130.886, 130.886, 61.026
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.529 - 2.100
Rwork	0.199
R-free	0.23130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ocx
RMSD bond length	0.011
RMSD bond angle	1.757
Data reduction software	Aimless (0.7.4)
Data scaling software	XDS
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	65.529	65.440	2.160
High resolution limit [Å]	2.100	8.910	2.100
Rmerge	0.155	0.055	1.463
Rmeas	0.164	0.058	1.554
Rpim	0.055	0.020	0.522
Number of reflections	31556	501	2524
<I/σ(I)>	10.4
Completeness [%]	100.0
Redundancy	16.4	13.3	16.8
CC(1/2)	0.998	0.999	0.855

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20mM Tris pH 7.4, 50mM NaCl, 0.2M Potassium thiocyanate, 2.2M Ammonium sulfate)