5YD2

Crystal Structure of Delta 4 mutant of EhPSAT (Phosphoserine aminotransferase of Entamoeba histolytica)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	77.15
Detector technology	IMAGE PLATE
Collection date	2016-10-25
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	C 1 2 1
Unit cell lengths	132.238, 67.904, 95.030
Unit cell angles	90.00, 110.93, 90.00

Refinement procedure

Resolution	50.000 - 2.350
R-factor	0.23196
Rwork	0.229
R-free	0.28695
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yb0
RMSD bond length	0.013
RMSD bond angle	1.548
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	DM
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.390
High resolution limit [Å]	2.350	6.370	2.350
Rmerge	0.055	0.030	0.421
Rmeas	0.060	0.033	0.489
Rpim	0.023	0.013	0.243
Number of reflections	31390	1725	1125
<I/σ(I)>	20.6
Completeness [%]	95.0	99.9	68.5
Redundancy	6.1	6.6	3.2
CC(1/2)		0.999	0.928

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	20% PEG2000MME 100 mM Tris pH-8.5 200 mM TMAO