5X9D

Crystal structure of homoserine dehydrogenase in complex with L-cysteine and NAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	95
Detector technology	CCD
Collection date	2016-06-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	I 41
Unit cell lengths	106.171, 106.171, 56.874
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.010 - 2.100
R-factor	0.1919
Rwork	0.190
R-free	0.23940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ydr
RMSD bond length	0.009
RMSD bond angle	1.452
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]	75.074	36.449	2.210
High resolution limit [Å]	2.100	6.640	2.100
Rmerge		0.021	0.932
Rmeas	0.087	0.023	1.000
Rpim	0.032	0.009	0.363
Total number of observations	139123	4380	20387
Number of reflections	18629
<I/σ(I)>	18.4	61.3	2.3
Completeness [%]	100.0	99.4	100
Redundancy	7.5	7.2	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	PEG3350, di-ammonium tartrate