6X7H

Cyanovirin-N Mutation I34Y with Dimannose bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-11-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.999
Spacegroup name	P 1 21 1
Unit cell lengths	49.724, 38.011, 55.867
Unit cell angles	90.00, 100.00, 90.00

Refinement procedure

Resolution	15.430 - 1.250
R-factor	0.1413
Rwork	0.140
R-free	0.17340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2rdk
Data reduction software	XDS (VERSION Jan 26, 2018)
Data scaling software	Aimless (7.0.62)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	15.430	15.430	1.270
High resolution limit [Å]	1.250	6.850	1.250
Rmerge	0.083	0.137	0.738
Rmeas	0.098	0.191	0.885
Rpim	0.053	0.133	0.482
Total number of observations	185048	98	8354
Number of reflections	52827	85	2685
<I/σ(I)>	9.6	16.8	1.6
Completeness [%]	92.7	23	95
Redundancy	3.5	1.2	3.1
CC(1/2)	0.991	0.968	0.594

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298	2 M ammonium sulfate, 5% isopropanol