5V18

Structure of PHD2 in complex with 1,2,4-Triazolo-[1,5-a]pyridine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2013-02-21
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97
Spacegroup name	P 41
Unit cell lengths	72.528, 72.528, 45.642
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.640 - 2.150
R-factor	0.1926
Rwork	0.191
R-free	0.23500
RMSD bond length	0.008
RMSD bond angle	1.231
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.190
High resolution limit [Å]	2.150	5.830	2.150
Rmerge	0.046	0.034	0.617
Total number of observations	50034
Number of reflections	12901
<I/σ(I)>	18.6
Completeness [%]	98.1	91.4	86.6
Redundancy	3.9	3.8	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	25% PEG 335, 200 mM ASO4, 100 mM Bis-Tris pH 6.5