8W06

Crystal Structure of the reconstruction of the ancestral triosephosphate isomerase of the last opisthokont common ancestor obtained by maximum likelihood with PGH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-13
Detector	DECTRIS PILATUS3 R 200K-A
Wavelength(s)	1.54178
Spacegroup name	P 1 21 1
Unit cell lengths	111.642, 83.222, 127.865
Unit cell angles	90.00, 103.49, 90.00

Refinement procedure

Resolution	41.450 - 2.060
R-factor	0.1969
Rwork	0.195
R-free	0.23510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.941
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.450	2.080
High resolution limit [Å]	2.060	2.060
Number of reflections	140270	6620
<I/σ(I)>	7.6	2
Completeness [%]	99.5	95.4
Redundancy	6.2	3.1
CC(1/2)	0.994	0.535

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M Magnesium acetate tetrahydrate, 20 % (w/v) PEG 3350