2VKQ

Crystal structure of human cytosolic 5'-nucleotidase III (cN-III, NT5C3) in complex with beryllium trifluoride

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Collection date	2006-02-25
Spacegroup name	C 2 2 21
Unit cell lengths	88.265, 99.388, 78.041
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.500
R-factor	0.211
Rwork	0.210
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cn1
RMSD bond length	0.009
RMSD bond angle	1.039
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.090	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.090	0.420
Number of reflections	12172
<I/σ(I)>	15	2.8
Completeness [%]	99.7	100
Redundancy	5.9	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				24% PEG1500, 20% GLYCEROL