9DDZ

Crystal Structure of Neisseria meningitidis TonB C-terminus domain (globular domain)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-31
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 43 3 2
Unit cell lengths	99.625, 99.625, 99.625
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.620 - 2.570
R-factor	0.1913
Rwork	0.185
R-free	0.23860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.732
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.620	2.340
High resolution limit [Å]	2.300	2.300
Number of reflections	1124727	7980
<I/σ(I)>	8
Completeness [%]	99.0
Redundancy	15
CC(1/2)	0.993	0.032

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2M MgSO4 (Salt), 20% w/v PEG 4K (Precipitant), 10% v/v Glycerol (Additive)