7F4C

The crystal structure of the immature holo-enzyme of homoserine dehydrogenase complexed with NADP and 1,4-butandiol from the hyperthermophilic archaeon Sulfurisphaera tokodaii.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	95
Detector technology	CCD
Collection date	2016-03-04
Detector	ADSC QUANTUM 270
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	55.328, 79.052, 65.914
Unit cell angles	90.00, 106.51, 90.00

Refinement procedure

Resolution	44.050 - 1.900
R-factor	0.2132
Rwork	0.211
R-free	0.25720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5avo
RMSD bond length	0.009
RMSD bond angle	1.388
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	63.196	40.954	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge		0.041	0.281
Rmeas	0.077	0.048	0.338
Rpim	0.038	0.024	0.184
Total number of observations	165834	5039	18612
Number of reflections	42219	1336	5660
<I/σ(I)>	11.8	23.1	3.4
Completeness [%]	98.4	95.3	91.3
Redundancy	3.9	3.8	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	PEG2000, magnesium chloride, PEG400, 1,4-butandiol