4BRN

Legionella pneumophila NTPDase1 crystal form III (closed) in complex with Mg AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	100
Spacegroup name	P 21 21 21
Unit cell lengths	80.333, 83.577, 104.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.980 - 1.690
R-factor	0.18676
Rwork	0.186
R-free	0.23014
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.018
RMSD bond angle	1.894
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	1.700
Rmerge	0.100
Number of reflections	78136
<I/σ(I)>	7.4
Completeness [%]	99.7
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.6		100MM NAMES PH 4.6 200MM NACL 12% PEG3350 5MM MGCL2 25MM AMP