5ZIX

Crystal structure of Ketopantoate reductase from Pseudomonas aeruginosa bound to NADP+

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	2017-07-19
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.97949
Spacegroup name	P 42 21 2
Unit cell lengths	130.873, 130.873, 155.296
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.598 - 2.570
R-factor	0.2129
Rwork	0.212
R-free	0.25020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ks9
RMSD bond length	0.002
RMSD bond angle	0.433
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.150	2.600
High resolution limit [Å]	2.560	2.560
Rmerge	0.075
Rmeas	0.078
Rpim	0.020	0.504
Number of reflections	44028	1735
<I/σ(I)>	31	1.6
Completeness [%]	98.9	99.9
Redundancy	14.7	15
CC(1/2)	1.000	0.737

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	295.15	1.3M Sodium-Potassium-Tartarate, 50mM BICINE pH 7.5