1OY7

Structure and Function Analysis of Peptide Antagonists of Melanoma Inhibitor of Apoptosis (ML-IAP)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL1-5
Synchrotron site	SSRL
Beamline	BL1-5
Temperature [K]	100
Detector technology	CCD
Collection date	2002-05-02
Detector	ADSC QUANTUM 4
Wavelength(s)	1.033
Spacegroup name	P 32
Unit cell lengths	83.878, 83.878, 94.340
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.700
R-factor	0.1553
Rwork	0.152
R-free	0.21100 *
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1oxn
RMSD bond length	0.008
RMSD bond angle	1.080 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.137 *	0.282 *
Number of reflections	20139
<I/σ(I)>	8	2
Completeness [%]	99.0 *	99.5 *
Redundancy	2.1	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.5 *	298	sodium acetate, PEG 300, DTT , pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	MES	10 (mM)	pH6.5
2	1	drop	protein	20 (mg/ml)
3	1	reservoir	sodium acetate	50 (mM)	pH5.0
4	1	reservoir	PEG300	5 (%(v/v))
5	1	reservoir	dithiothreitol	5 (mM)