6S54

Transaminase from Pseudomonas fluorescens

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-11
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	92.022, 94.544, 242.218
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	88.073 - 2.210
R-factor	0.2144
Rwork	0.213
R-free	0.24440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lha
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	92.050	92.050	2.270
High resolution limit [Å]	2.210	9.880	2.210
Rmerge	0.309	0.133	1.700
Rmeas	0.336	0.146	1.849
Rpim	0.131	0.058	0.723
Total number of observations	692500	8082	50050
Number of reflections	106548	1371	7759
<I/σ(I)>	3.9	10.2	1
Completeness [%]	100.0	100	100
Redundancy	6.5	5.9	6.5
CC(1/2)	0.973	0.934	0.589

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293.15	0.1 M sodium citrate, pH 5.6, 12% w/v PEG 6000, 0.1 M lithium sulfate