6FAK

Human afamin orthorhombic crystal form by controlled hydration

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-30
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966
Spacegroup name	P 21 21 2
Unit cell lengths	109.773, 113.325, 48.796
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	78.850 - 1.900
R-factor	0.17905
Rwork	0.177
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vue
RMSD bond length	0.014
RMSD bond angle	1.611
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	BALBES
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.850	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.049	0.868
Rmeas	0.058	1.031
Rpim	0.030	0.547
Number of reflections	48102	2967
<I/σ(I)>	14.9	2
Completeness [%]	98.9	95.8
Redundancy	3.55	3.36
CC(1/2)	0.999	0.728

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	30 % PEG 1000, 270 mM CH3COONH4, 3% 6-aminohexanoic acid (ACA). 1.5 uL 5 mg/mL Stock + 1.5 uL precipitant. Streak seeding followed by micro-seeding immediately after pipetting with no pre-equilibration of the drop. Controlled hydration experiment for data collection.