8V0A

Crystal Structure of the worst case 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	2018-09-27
Detector	DECTRIS PILATUS3 R 200K-A
Wavelength(s)	1.54178
Spacegroup name	P 2 21 21
Unit cell lengths	41.716, 106.379, 114.177
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.180 - 2.050
R-factor	0.1991
Rwork	0.197
R-free	0.24290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.062
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]	39.183	2.090
High resolution limit [Å]	2.046	2.050
Number of reflections	32427	1630
<I/σ(I)>	17.46	2.1
Completeness [%]	98.4	98.3
Redundancy	7.1	3.9
CC(1/2)	0.897	0.593

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M Ammonium citrate dibasic, 20 % w/v PEG 3350