1OXN

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

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-04-12
Detector	ADSC QUANTUM 4
Wavelength(s)	1.2822, 1.2834, 1.1921
Spacegroup name	P 32
Unit cell lengths	82.770, 82.770, 93.170
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.17202
Rwork	0.169
R-free	0.22500 *
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.020 *
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]	20.000 *	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.040	0.216
Number of reflections	73906
<I/σ(I)>	19.1	4.4
Completeness [%]	98.6	99.6
Redundancy	2	2

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)