9BKO

DHODH in complex with Ligand 26

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 32 2 1
Unit cell lengths	90.781, 90.781, 122.616
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	78.620 - 1.440
R-factor	0.14351
Rwork	0.142
R-free	0.17007
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.667
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.620	1.690
High resolution limit [Å]	1.440	1.440
Rmerge	0.035	0.483
Rmeas	0.041	0.567
Number of reflections	104088	39885
<I/σ(I)>	17.77	2.8
Completeness [%]	98.3	99.7
Redundancy	3.6	3.6
CC(1/2)	0.999	0.839

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.10 M NaAcetate pH 4.8, 2.0 M (NH4)2SO4, 30 % Glycerol