5OWP

Crystal structure of glycopeptide "GVTSAfPDT*RPAP" in complex with scFv-SM3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-12
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97
Spacegroup name	P 21 21 21
Unit cell lengths	35.399, 68.151, 90.358
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	90.360 - 1.850
R-factor	0.19599
Rwork	0.194
R-free	0.25614
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5a2k
RMSD bond length	0.017
RMSD bond angle	1.854
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.360	1.950
High resolution limit [Å]	1.850	1.850
Rpim	0.049	0.394
Number of reflections	19335
<I/σ(I)>	10.9	1.9
Completeness [%]	99.7	99.8
Redundancy	6.4	6.3
CC(1/2)	0.998	0.685

Crystallization Conditions

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