8IXH

Pseudomoans aeruginosa Wildtype Ketopantoate Reductase With 3-Methyl-2-oxovalerate at substrate site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site	RRCAT INDUS-2
Beamline	PX-BL21
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2019-02-14
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	192.206, 47.916, 129.233
Unit cell angles	90.00, 129.68, 90.00

Refinement procedure

Resolution	40.845 - 1.950
R-factor	0.1977
Rwork	0.197
R-free	0.22040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.776
Data reduction software	iMOSFLM
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.620	2.020
High resolution limit [Å]	1.950	1.950
Number of reflections	66387	6616
<I/σ(I)>	10.7
Completeness [%]	99.6
Redundancy	3.8
CC(1/2)	0.998	0.632

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	11% PEG 6000, 100mM Hepes ph 7.5, 200mM MgCl2