1B40

OLIGO-PEPTIDE BINDING PROTEIN (OPPA) COMPLEXED WITH KFK

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Temperature [K]	120
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	109.694, 75.157, 69.712
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.200
Rwork	0.199
R-free	0.25800
Structure solution method	OTHER
Starting model (for MR)	1OLB
RMSD bond length	0.012
RMSD bond angle	0.035
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	CCP4
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.120
High resolution limit [Å]	2.200 *	2.000
Rmerge	0.128 *	0.188
Number of reflections	40411
<I/σ(I)>	6.6	3.4
Completeness [%]	96.2	80.3
Redundancy	4.3	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.5		CO-CRYSTALLIZED WITH URANIUM ACETATE, PH 5.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	30 (mg/ml)
2	1	reservoir	PEG4000	5-10 (%(w/v))
3	1	reservoir	sodium acetate	50 (mM)
4	1	reservoir	uranyl acetate	1 (mM)