6RUJ

Factor inhibiting HIF-1 alpha in complex with consensus ankyrin repeat domain-(d)3-hydroxy-Leu peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97942
Spacegroup name	P 41 21 2
Unit cell lengths	86.401, 86.401, 147.263
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.042 - 2.420
R-factor	0.2112
Rwork	0.209
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h2k
RMSD bond length	0.013
RMSD bond angle	1.236
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.630	2.460
High resolution limit [Å]	2.420	2.420
Rmerge	0.148	2.367
Rmeas	0.154	2.461
Rpim		0.668
Number of reflections	22013	1051
<I/σ(I)>	10.6	1
Completeness [%]	99.9	98.1
Redundancy	12.8	13.4
CC(1/2)	0.998	0.557

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	1.6M AMMONIUM SULPHATE, 6% PEG 400, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K