6TB0

Crystal structure of thermostable omega transaminase 4-fold mutant from Pseudomonas jessenii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2018-07-31
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 43
Unit cell lengths	98.070, 98.070, 119.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.080 - 1.950
R-factor	0.1418
Rwork	0.140
R-free	0.16940
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6g4b
RMSD bond length	0.009
RMSD bond angle	1.487
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.7.1)
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.080	49.030	1.990
High resolution limit [Å]	1.950	10.130	1.950
Rmerge	0.097	0.021	0.771
Total number of observations		4550	31957
Number of reflections	82063	619	4522
<I/σ(I)>	16.7	57.4	2.5
Completeness [%]	100.0	99.3	100
Redundancy	7.4	7.4	7.1
CC(1/2)	0.999	1.000	0.743

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	293	Succinic acid