9WY5

Crystal Structure of HIF-PHD2 in complex with compound 3-13 (DS79540454)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-08-03
Detector	RIGAKU
Wavelength(s)	1.5418
Spacegroup name	P 41
Unit cell lengths	71.441, 71.441, 45.444
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.810 - 2.000
R-factor	0.20527
Rwork	0.201
R-free	0.24002
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.210
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0405)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.055	0.047	0.158
Total number of observations	63579
Number of reflections	14811	1491	1530
<I/σ(I)>	28.1
Completeness [%]	94.5	90.8	99.5
Redundancy	4.3	4.3	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		295	Protein (30mg/ml in a final buffer of 20mM Tril-HCl (pH 7.5), 50mM NaCl), Reservoir solution (30% (w/v) PEG MME 5000, 0.2M ammonium sulfate, 0.1M HEPES (pH 7.0))