6R2U

Zinc-alpha2-Glycoprotein with a Fluorescent Dansyl C 11 Fatty Acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	80
Detector technology	PIXEL
Collection date	2016-01-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97949
Spacegroup name	I 4
Unit cell lengths	167.015, 167.015, 204.948
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	77.400 - 2.490
R-factor	0.17126
Rwork	0.170
R-free	0.21202
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t7v pdbredo
RMSD bond length	0.011
RMSD bond angle	1.473
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.400	2.530
High resolution limit [Å]	2.490	2.490
Rmeas	0.212	3.388
Rpim	0.054	0.856
Number of reflections	98002	4802
<I/σ(I)>	10	1
Completeness [%]	100.0	99.2
Redundancy	15.3	15.6
CC(1/2)	0.995	0.298

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	294	1.3 M (NH4)2SO4, 100 mM Hepes