5ZIK

Crystal structure of Ketopantoate reductase from Pseudomonas aeruginosa

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	131.310, 131.310, 156.848
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.123 - 2.450
R-factor	0.2244
Rwork	0.224
R-free	0.25360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ks9
RMSD bond length	0.002
RMSD bond angle	0.444
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]	47.010	2.540
High resolution limit [Å]	2.450	2.450
Rmerge	0.073
Rpim	0.024	0.394
Number of reflections	51232	5014
<I/σ(I)>	24.5	2.3
Completeness [%]	99.7	99.9
Redundancy	10	10.2
CC(1/2)	0.999	0.837

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	295.15	1.1M Sodium-Potassium-Tartarate, 50mM BICINE pH 8.0