9R32

CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Cryptosporidium parvum COMPLEXED WITH L-LYSINE AND INHIBITOR DDD01887015

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2019-05-08
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5417
Spacegroup name	P 1 21 1
Unit cell lengths	73.153, 119.425, 142.760
Unit cell angles	90.00, 90.31, 90.00

Refinement procedure

Resolution	91.768 - 1.900
Rwork	0.180
R-free	0.20640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.543
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	142.760	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.093	0.658
Rpim	0.055	0.514
Number of reflections	187306	8580
<I/σ(I)>	11.8
Completeness [%]	97.3	90
Redundancy	6.9
CC(1/2)	0.997	0.706

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	293	Protein: 30 mg/ml in 25 mM HEPES, 0.5 M NaCl, 5% glycerol, 2 mM TCEP, pH 7 Reservoir: 25% PEG 3350, 0.1 M tris pH 7.8, 0.2 M Li sulfate