3D8C

Factor inhibiting HIF-1 alpha D201G mutant in complex with ZN(II), alpha-ketoglutarate and HIF-1 alpha 19mer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2008-04-19
Detector	ADSC QUANTUM 315
Wavelength(s)	0.96960
Spacegroup name	P 41 21 2
Unit cell lengths	86.427, 86.427, 148.065
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.650 - 2.100
R-factor	0.218
Rwork	0.218
R-free	0.25600
Structure solution method	ISOMORPHOUS WITH 1H2N
Starting model (for MR)	1h2n
RMSD bond length	0.011
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS (1.1)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.101	0.743
Number of reflections	33850
<I/σ(I)>	23.18	3.66
Completeness [%]	99.7	98.7
Redundancy	13.9	13.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	1.6M AMMONIUM SULPHATE, 6% PEG400, 0.1M HEPES PH7.5, 24MG/ML PROTEIN WITH 1MM FE(II)SO4, 1MM ALPHA-KETOGLUTARATE, 1MM HIF-1ALPHA PEPTIDE, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298.0K, PH 7.50