9FON

Cocrystal structure of Drosophila melanogaster TDO with a bound compound

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-28
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0007
Spacegroup name	P 32 2 1
Unit cell lengths	119.543, 119.543, 101.804
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.130 - 2.121
R-factor	0.2326
Rwork	0.231
R-free	0.25650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.800
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	BUSTER (2.11.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	103.500	2.240
High resolution limit [Å]	2.120	2.120
Rmerge	0.099	1.388
Rmeas	0.110	1.538
Number of reflections	42135	2107
<I/σ(I)>	11.9	1.4
Completeness [%]	95.3	59.4
Redundancy	10.2
CC(1/2)	0.999	0.657

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Morpheus screen I, condition B12