6RLU

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

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	2018-04-05
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.541790
Spacegroup name	H 3 2
Unit cell lengths	178.357, 178.357, 246.688
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.570 - 1.880
R-factor	0.169
Rwork	0.169
R-free	0.19500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lsq
RMSD bond length	0.011
RMSD bond angle	0.980
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]	96.380	96.380	1.990
High resolution limit [Å]	1.880	5.960	1.880
Rmerge	0.109	0.040	0.722
Rmeas	0.115	0.042	0.758
Rpim	0.035	0.013	0.229
Total number of observations	1319265	42567	188992
Number of reflections	121071	4025	17520
<I/σ(I)>	15.5	39.6	3.4
Completeness [%]	100.0	99.9	100
Redundancy	10.9	10.6	10.8
CC(1/2)	0.999	0.999	0.894

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)cytidine in t crystallization solution containing a 22% v/v glycerol.