9FSN

FIH in complex with Enarodustat crystal structure at 2.2A

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97628
Spacegroup name	P 41 21 2
Unit cell lengths	86.450, 86.450, 147.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.220 - 2.200
R-factor	0.1977
Rwork	0.197
R-free	0.20820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4b7k
RMSD bond length	0.002
RMSD bond angle	0.529
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.050	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.061	1.385
Rmeas	0.063	1.434
Rpim	0.017	0.373
Number of reflections	29152	2474
<I/σ(I)>	28.7	2.9
Completeness [%]	100.0
Redundancy	26.6
CC(1/2)	1.000	0.899

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	290	Morpheus 1, well C1, 0.09 M NPS, 0.1 M Buffer System 1 pH 6.5, 30 % Precipitant Mix 1