9B8N

Crystal structure of ornithine decarboxylase in complex with a novel inhibitor (10-S)

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	75.340, 87.360, 154.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.800 - 2.000
R-factor	0.185
Rwork	0.184
R-free	0.20830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.677
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.440	2.040
High resolution limit [Å]	1.990	1.990
Rmerge	0.096	0.730
Number of reflections	70295	4824
<I/σ(I)>	10.6
Completeness [%]	99.3
Redundancy	5.2
CC(1/2)	0.997	0.600

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	not available