7NDS

Crystal structure of TphC in a closed conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-26
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	69.250, 150.060, 58.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.170 - 2.400
R-factor	0.1805
Rwork	0.178
R-free	0.21720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x9t
RMSD bond length	0.003
RMSD bond angle	0.528
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.170	2.486
High resolution limit [Å]	2.400	2.400
Rmerge	0.168	1.057
Rmeas	0.182
Rpim	0.070	0.462
Number of reflections	12237	1172
<I/σ(I)>	9.37	1.7
Completeness [%]	99.3	97.1
Redundancy	6.6	6
CC(1/2)	0.994	0.505

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.2 M Ammonium sulfate, 0.1M MES pH 6.5, 30% w/v PEG 5000 MME condition SG1 drop B4