6XWB

Crystal structure of an R-selective transaminase from Thermomyces stellatus.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	I 1 2 1
Unit cell lengths	67.770, 98.010, 117.258
Unit cell angles	90.00, 91.22, 90.00

Refinement procedure

Resolution	37.600 - 2.200
R-factor	0.2023
Rwork	0.201
R-free	0.23070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ce5
RMSD bond length	0.006
RMSD bond angle	0.723
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.000	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.112	0.526
Rmeas	0.135	0.632
Rpim	0.075	0.347
Number of reflections	38936	20731
<I/σ(I)>	10.2	2.7
Completeness [%]	100.0	100
Redundancy	6.1	6.2
CC(1/2)	0.996	0.912

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	275	Microseeding with microcrystals grown in PACT condition G3. Larger crystals grew in seeded drops in PACT condition D12.