5AYV

Crystal structure of archaeal ketopantoate reductase complexed with coenzyme A and 2-oxopantoate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	95
Detector technology	CCD
Collection date	2014-06-01
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	53.519, 70.822, 163.902
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.535 - 1.647
R-factor	0.1697
Rwork	0.169
R-free	0.18870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ofp
RMSD bond length	0.007
RMSD bond angle	0.904
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.710
High resolution limit [Å]	1.647	1.647
Number of reflections	73909
<I/σ(I)>	20.2	2.6
Completeness [%]	97.0	98.7
Redundancy	6	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	acetate, MPD