9B8M

Crystal structure of ornithine decarboxylase in complex with a novel inhibitor

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	74.650, 86.430, 153.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.780 - 2.900
R-factor	0.1951
Rwork	0.194
R-free	0.22290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.618
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.780	2.980
High resolution limit [Å]	2.900	2.900
Number of reflections	22613	1652
<I/σ(I)>	7.9
Completeness [%]	99.8
Redundancy	12.8
CC(1/2)	0.994	0.580

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Not available