6YW0

Lysine-N,N-Dimethylated HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with BB-287

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-06-01
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.87260
Spacegroup name	P 63
Unit cell lengths	110.927, 110.927, 39.660
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.022 - 2.200
R-factor	0.1937
Rwork	0.192
R-free	0.22080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g19
RMSD bond length	0.004
RMSD bond angle	0.851
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.309	36.309	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge		0.038	2.037
Rmeas	0.182	0.040	2.088
Rpim	0.040	0.011	0.455
Total number of observations	293273	7276	43214
Number of reflections	14427	486	2080
<I/σ(I)>	19.1	91.3	2.1
Completeness [%]	99.9	98.3	100
Redundancy	20.3	15	20.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Sample: 18 mg/mL PHD2-Me + 1 mM FeSO4 + 2 mM compound; Reservoir: 1.7% polyethylene glycol 400, 15% glycerol, 1.7 M ammonium sulphate and 0.085 M HEPES-Na pH 7.5; Sitting drop (2 uL), protein-to-well ratio, 1:1