7Q9Z

Crystal structure of Chromobacterium violaceum aminotransferase in complex with PLP-pyruvate adduct

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-02
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9763
Spacegroup name	P 1
Unit cell lengths	58.150, 60.720, 61.800
Unit cell angles	71.30, 75.94, 85.73

Refinement procedure

Resolution	56.408 - 1.950
Rwork	0.243
R-free	0.27880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ah3
RMSD bond length	0.005
RMSD bond angle	1.156
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.410	1.980
High resolution limit [Å]	1.950	1.950
Number of reflections	55363	2719
<I/σ(I)>	8.8
Completeness [%]	97.8
Redundancy	3.6
CC(1/2)	0.998	0.322

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		291	12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v (RS)-2-methyl-2,4-pentanediol (MPD) 0.03M of each of sodium nitrate, disodium hydrogen phosphate and ammonium sulfate in 0.1M MES/imidazole pH6.5 buffer.5 mM PLP and 5 mM pyruvate