5LH9

Amine transaminase crystal structure from an uncultivated Pseudomonas species in the PLP-bound (internal aldimine) form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-09-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	94.791, 95.061, 151.108
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.400 - 1.950
R-factor	0.164
Rwork	0.161
R-free	0.18800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fcr
RMSD bond length	0.004
RMSD bond angle	0.715
Data reduction software	XDS (Version November 11, 2013)
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]	47.400	1.990
High resolution limit [Å]	1.950	1.950
Rmerge	0.108	0.819
Number of reflections	98173
<I/σ(I)>	12.4
Completeness [%]	98.6	79.5
Redundancy	4.4	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	Reservoir contained 100 mM sodium malonate, pH 5.0, 12% (w/v) PEG 3350, 4% (v/v) formamide. Protein solution contained 15 mg/ml protein in 50 mM Tris-HCl, pH 8.0, 0.3 M NaCl, 0.5 mM PLP