1YCI

Factor inhibiting HIF-1 alpha in complex with N-(carboxycarbonyl)-D-phenylalanine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX10.1
Synchrotron site	SRS
Beamline	PX10.1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-11-10
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.488
Spacegroup name	P 41 21 2
Unit cell lengths	86.853, 86.853, 150.519
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.450 - 2.700
R-factor	0.21
Rwork	0.210
R-free	0.24400
Structure solution method	ISOMORPHOUS WITH 1H2N
Starting model (for MR)	1h2n
RMSD bond length	0.010
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.450	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.082	0.446
Number of reflections	16510
<I/σ(I)>	19.2	4.9
Completeness [%]	99.9	100
Redundancy	7.1	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	1.2M AMMONIUM SULPHATE, 4% PEG400, 0.1M HEPES PH7.5 ARGON ATMOSPHERE, 28MG/ML PROTEIN WITH 1MM FE(II), 10MM N-(CARBOXYCARBONYL)-D-PHENYLALANINE, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K