1KCR

CRYSTAL STRUCTURE OF ANTIBODY PC283 IN COMPLEX WITH PS1 PEPTIDE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	300
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	69.724, 72.686, 84.493
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	100.000 * - 2.900
R-factor	0.188 *
Rwork	0.184
R-free	0.26100 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007 *
RMSD bond angle	1.571 *
Data reduction software	MAR
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.900	2.900 *
Rmerge	0.124	0.333 *
Total number of observations	11134 *
Number of reflections	7953
<I/σ(I)>	5.1
Completeness [%]	82.0	61.1 *
Redundancy	1.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	300	18% PEG 3K, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 300K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)	with a 20-fold molar excess of peptide
2	1	drop	Tris-Cl	50 (mM)	pH7.2
3	1	reservoir	PEG3300	18 (%)