6RLV

Trypanosoma brucei Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine

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	2018-03-23
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.541790
Spacegroup name	H 3 2
Unit cell lengths	177.666, 177.666, 246.767
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.540 - 1.900
R-factor	0.174
Rwork	0.173
R-free	0.20400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lsq
RMSD bond length	0.010
RMSD bond angle	1.000
Data reduction software	XDS
Data scaling software	Aimless (0.6.2)
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	130.560	130.560	2.000
High resolution limit [Å]	1.900	6.000	1.900
Rmerge	0.103	0.031	0.803
Rmeas	0.108	0.032	0.841
Rpim	0.032	0.010	0.248
Total number of observations	1290479	41902	184377
Number of reflections	116567	3919	16707
<I/σ(I)>	16.7	46.1	3.1
Completeness [%]	99.1	100	97.9
Redundancy	11.1	10.7	11
CC(1/2)	0.999	1.000	0.874

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)N3-methyluridine in the crystallization solution containing additional 22% v/v glycerol.