6IO1

Crystal structure of a novel thermostable (S)-enantioselective omega-transaminase from Thermomicrobium roseum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	95
Detector technology	CCD
Collection date	2015-11-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97930
Spacegroup name	H 3
Unit cell lengths	118.258, 118.258, 170.514
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.898 - 1.803
R-factor	0.1705
Rwork	0.153
R-free	0.15510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e3q
RMSD bond length	0.004
RMSD bond angle	0.752
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.830
High resolution limit [Å]	1.800	1.800
<I/σ(I)>	30.6
Completeness [%]	99.8
Redundancy	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	0.9M sodium citrate tribasic, 0.1M imidazole/HCl (pH 7.4), 0.1M betaine-HCl