6VTU

DH717.1 Fab monomer in complex with man9 glycan

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2017-02-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97927
Spacegroup name	P 41 21 2
Unit cell lengths	115.238, 115.238, 98.476
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.732 - 2.610
R-factor	0.1926
Rwork	0.191
R-free	0.22430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tpp
RMSD bond length	0.003
RMSD bond angle	0.811
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.8.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.660
High resolution limit [Å]	2.610	7.080	2.610
Rmerge	0.149	0.083	0.884
Rmeas	0.168	0.093	1.043
Rpim	0.075	0.041	0.545
Total number of observations	90397
Number of reflections	20471	1102	948
<I/σ(I)>	5.8
Completeness [%]	98.0	93.4	93.3
Redundancy	4.4	4.3	3.3
CC(1/2)		0.991	0.505

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	100 mM sodium citrate, pH 5.0, 30% PEG4000