8WKJ

The crystal structure of aspartate aminotransferases Lpg0070 from Legionella pneumophila

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.978
Spacegroup name	I 41 2 2
Unit cell lengths	105.425, 105.425, 165.471
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.920 - 1.700
Rwork	0.155
R-free	0.17170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.426
Data reduction software	HKL-3000 (7.21)
Data scaling software	HKL-3000 (7.21)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.135	0.079	1.373
Rmeas	0.138	0.081	1.411
Rpim	0.028	0.017	0.311
Total number of observations	1236043
Number of reflections	51188	5451	4639
<I/σ(I)>	6.2
Completeness [%]	99.0	100	90.7
Redundancy	24.1	23.7	19.2
CC(1/2)	0.996	0.998	0.707

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	0.1 M Ammonium sulfate 0.05 M Magnesium sulfate heptahydrate 0.1 M Sodium citrate 5.5 22.5 % v/v PEG Smear Medium