4BRP

Legionella pneumophila NTPDase1 crystal form V (part-open)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Spacegroup name	P 32 2 1
Unit cell lengths	129.608, 129.608, 162.698
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.080 - 2.500
R-factor	0.17814
Rwork	0.177
R-free	0.21866
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.820
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall
Low resolution limit [Å]	29.000
High resolution limit [Å]	2.500
Rmerge	0.090
Number of reflections	55117
<I/σ(I)>	11.8
Completeness [%]	99.9
Redundancy	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.4		100MM NAMES PH 6.4, 14% PEG3350, 200MM KBR