6RLT

Trypanosoma brucei Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-Sulfamoyl)uridine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2018-11-20
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.541790
Spacegroup name	H 3 2
Unit cell lengths	177.609, 177.609, 246.109
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	21.200 - 1.840
R-factor	0.213
Rwork	0.213
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lsq
RMSD bond length	0.010
RMSD bond angle	1.040
Data reduction software	XDS
Data scaling software	Aimless (0.7.2)
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	130.430	130.430	1.940
High resolution limit [Å]	1.840	5.810	1.840
Rmerge	0.082	0.025	0.419
Rmeas	0.086	0.026	0.449
Rpim	0.026	0.008	0.152
Total number of observations	1372322	46095	158014
Number of reflections	127755	4297	17261
<I/σ(I)>	27.7	74.8	7.1
Completeness [%]	98.8	99.9	91.9
Redundancy	10.7	10.7	9.2
CC(1/2)	0.998	1.000	0.969

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	Holo protein at 10 mg/mL in 10 mM Tris pH 7, 100 mM NaCl, 5 mM DTT, 5% (v/v) glycerol was mixed with 2.4 M sodium malonate pH 7.0, 100 mM Bis-tris propane pH 7.0 in a 2:1 (v/v) ratio. Suitable crystals were soaked with 2 mM 5'-O-(N-(L-seryl)-Sulfamoyl)uridine in crystallization solution containing a 22% v/v glycerol.