4JZR

Structure of Prolyl Hydroxylase Domain-containing Protein (PHD) with Inhibitors

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2011-05-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	P 63
Unit cell lengths	111.455, 111.455, 39.974
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.100
R-factor	0.232
Rwork	0.231
R-free	0.25940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.388
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.072	0.035	0.558
Number of reflections	16844
<I/σ(I)>	14
Completeness [%]	99.8	96.3	100
Redundancy	6.8	6.2	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	293	30% PEG3350, 200mM Ammonium Sulfate, 100mM Sodium Acetate, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K