4BRK

Legionella pneumophila NTPDase1 N302Y variant crystal form III (closed) in complex with MG UMPPNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.3
Synchrotron site	BESSY
Beamline	14.3
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	80.600, 82.967, 109.578
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.430 - 1.500
R-factor	0.12929
Rwork	0.129
R-free	0.17791
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.020
RMSD bond angle	1.874
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall
Low resolution limit [Å]	28.000
High resolution limit [Å]	1.500
Rmerge	0.060
Number of reflections	117553
<I/σ(I)>	11.6
Completeness [%]	99.7
Redundancy	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.4		100MM NAMES PH 5.4, 10% PEG3350, 15% GLYCEROL, 10MM MGCL2