6TGG

scFv-1SM3 in complex with glycopeptide containing an sp2-imino sugar

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	90
Detector technology	PIXEL
Collection date	2016-02-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97
Spacegroup name	P 21 21 21
Unit cell lengths	35.271, 68.689, 90.393
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.210 - 2.000
R-factor	0.177
Rwork	0.175
R-free	0.23750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5owp
RMSD bond length	0.012
RMSD bond angle	1.528
Data reduction software	xia2
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.110
High resolution limit [Å]	2.000	2.000
Rpim	0.076	0.342
Number of reflections	15528	2229
<I/σ(I)>	9.1	4.8
Completeness [%]	99.9	100
Redundancy	9.1
CC(1/2)	0.987	0.758

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	PEG 3350 disodium hydrogen phosphate