5X6R

Crystal structure of Saccharomyces cerevisiae KMO in complex with Ro 61-8048

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-01
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	58.878, 99.764, 84.693
Unit cell angles	90.00, 105.45, 90.00

Refinement procedure

Resolution	30.797 - 1.911
R-factor	0.2125
Rwork	0.211
R-free	0.25970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4j33
RMSD bond length	0.009
RMSD bond angle	1.137
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.797	1.940
High resolution limit [Å]	1.910	1.910
Rmerge		0.405
Rmeas		0.438
Rpim		0.240
Number of reflections	72243	3550
<I/σ(I)>	27.19	4.16
Completeness [%]	99.0	100
Redundancy	3.6	3.2
CC(1/2)		0.899

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	277	0.1 M sodium acetate, pH 4.6, 0.1 M NaCl, and 12% isopropanol