7YPN

Crystal structure of transaminase CC1012 mutant M9 complexed with PLP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	63.734, 78.879, 86.497
Unit cell angles	90.00, 100.54, 90.00

Refinement procedure

Resolution	39.440 - 2.049
R-factor	0.183
Rwork	0.181
R-free	0.21180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ypm
RMSD bond length	0.002
RMSD bond angle	0.516
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.090
High resolution limit [Å]	2.049	2.050
Number of reflections	52548	2588
<I/σ(I)>	10.2
Completeness [%]	99.9	99.7
Redundancy	6.5
CC(1/2)	0.800	0.816

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.69	291	100 mM Tris-HCl, pH 8.69, LiCl, 0.8 M, PEG 4000, 29% (w/v)