8Z33

Crystal Structure of HIF-PHD2 in complex with compound 4

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2006-11-28
Detector	ADSC QUANTUM 210
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	40.816, 88.747, 70.762
Unit cell angles	90.00, 96.35, 90.00

Refinement procedure

Resolution	20.000 - 2.600
R-factor	0.20627
Rwork	0.202
R-free	0.24881
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	1.006
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (1.3.3)
Refinement software	REFMAC (5.8.0405)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.660
High resolution limit [Å]	2.600	6.410	2.600
Rmerge	0.063	0.030	0.335
Number of reflections	15274	1053	944
<I/σ(I)>	14.9		2.9
Completeness [%]	99.1	99.4	93
Redundancy	3.7	3.6	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		295	Protein (30mg/ml in 20mM Tril-HCl (pH 7.5), 50mM NaCl), reservoir solution (1.3M ammonium sulfate, 0.1M NaCl, 0.05M NaF, 0.1M HEPES (pH 7.5))