6LDV

Structure antibody F9 in complex with methylated peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2018-08-05
Detector	RAYONIX MX225-HS
Wavelength(s)	1.0000
Spacegroup name	P 2 21 21
Unit cell lengths	49.764, 63.526, 125.856
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.320 - 1.900
R-factor	0.1814
Rwork	0.179
R-free	0.22930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5m63
RMSD bond length	0.008
RMSD bond angle	1.529
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.320	1.950
High resolution limit [Å]	1.900	1.900
Rmerge	0.193	1.213
Rpim	0.052	0.379
Number of reflections	31867	1856
<I/σ(I)>	14.1	2.2
Completeness [%]	99.2
Redundancy	14.4
CC(1/2)	0.997	0.677

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.2 M potassium iodide 20% PEG3350