8JSU

The crystal structure of TvaE in complex with TvaLP

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	2022-10-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97915
Spacegroup name	P 1
Unit cell lengths	45.224, 52.499, 73.673
Unit cell angles	94.72, 90.55, 112.55

Refinement procedure

Resolution	40.140 - 1.440
R-factor	0.1739
Rwork	0.173
R-free	0.19690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.966
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHENIX ((1.20.1_4487))
Refinement software	PHENIX ((1.20.1_4487))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.170	1.450
High resolution limit [Å]	1.440	1.440
Rmerge	0.045	0.468
Number of reflections	105078	10353
<I/σ(I)>	14.2	2.2
Completeness [%]	92.3	91.8
Redundancy	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.1 M Amino acids(0.02 M DL-Glutamic acid monohydrate, 0.02 M DL-Alanine, 0.02 M Glycine, 0.02 M DL-Lysine monohydrochloride, 0.02 M DL-Serine), 0.1 M Buffer System 2 (0.05 M Sodium HEPES, 0.05M MOPS(acid)) pH=7.5, 50% v/v Precipitant Mix4 (12.5% v/v MPD, 12.5% v/v PEG 1000, 12.5% v/v PEG3350)