5LHA

Amine transaminase crystal structure from an uncultivated Pseudomonas species in the PMP-bound form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-12-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.045400
Spacegroup name	P 21 21 21
Unit cell lengths	96.790, 97.069, 153.389
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.530 - 1.890
R-factor	0.175
Rwork	0.172
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.849
Data reduction software	XDS
Data scaling software	Aimless (0.5.27)
Phasing software	PHASER
Refinement software	PHENIX (dev_2313)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.530	1.920
High resolution limit [Å]	1.890	1.890
Rmerge	0.099	0.656
Number of reflections	107336
<I/σ(I)>	9.4
Completeness [%]	93.1	77.5
Redundancy	3.8	3.6
CC(1/2)	0.996	0.603

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	Crystallisation solution: 100 mM sodium malonate, pH 5.0, 12% (w/v) PEG 3350, 4% (v/v) formamid; Protein solution: 15 mg/ml protein in 50 mM Tris-HCl, pH 8.0, 0.3 M NaCl, 0.5 mM PLP; Soaking: 1 minute with 100 mM L-alanine in crystallisation solution and 20% (v/v) PEG 400