5EIO

Crystal structure of LysY from Thermus thermophilus complexed with NADP+ and LysW-gamma-aminoadipic semialdehyde

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]	100
Detector technology	CCD
Collection date	2014-02-08
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0
Spacegroup name	P 32 2 1
Unit cell lengths	83.530, 83.530, 168.321
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.370 - 1.800
R-factor	0.17001
Rwork	0.168
R-free	0.21284
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ozp 3wwl
RMSD bond length	0.010
RMSD bond angle	1.488
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge		0.490
Number of reflections	64110
<I/σ(I)>	27.8	2.8
Completeness [%]	99.4	100
Redundancy	5.5	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	PEG 2000 MME, calcium acetate, NADP, HEPES-NaOH