6FIR

Human cytosolic 5'-nucleotidase II soaked with 5mM3-Phenyl-N-(9H-purin-6-yl)benzamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-04-04
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.000000
Spacegroup name	I 2 2 2
Unit cell lengths	90.930, 127.680, 130.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.000 - 2.500
R-factor	0.1819
Rwork	0.179
R-free	0.23380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2j2c
RMSD bond length	0.008
RMSD bond angle	0.943
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.600
High resolution limit [Å]	2.500	2.500
Number of reflections	25195
<I/σ(I)>	13.1
Completeness [%]	94.4	95.2
Redundancy	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	MGSO4, TRIS AND LIGAND, pH 8.5