28TM

Structure of a Rossmann fold domain from Pseudomonas

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-07-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	35.863, 108.321, 122.356
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.550 - 2.920
R-factor	0.2552
Rwork	0.253
R-free	0.29950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.508
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (2.0_5936)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.550	3.210
High resolution limit [Å]	2.920	2.920
Number of reflections	19963	4991
<I/σ(I)>	4.62	1.1
Completeness [%]	93.2	74.9
Redundancy	6.9
CC(1/2)	0.992	0.722

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		297.15	20% w/v PEG4K, 0.1 M CaCl2, 0.1 M Tris pH 8.5