7ZEG

Human cytosolic 5' nucleotidase IIIB in complex with 3,4-diF-Bn7GMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-22
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9184
Spacegroup name	P 1 21 1
Unit cell lengths	40.755, 79.135, 94.388
Unit cell angles	90.00, 93.23, 90.00

Refinement procedure

Resolution	40.690 - 1.560
R-factor	0.2409
Rwork	0.240
R-free	0.27300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bdu
RMSD bond length	0.004
RMSD bond angle	0.636
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.690	1.612
High resolution limit [Å]	1.556	1.556
Rmerge	0.091
Rmeas	0.098
Rpim	0.038
Number of reflections	85124	8109
<I/σ(I)>	10.66	0.68
Completeness [%]	99.2
Redundancy	6.6
CC(1/2)	0.999	0.439

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.2	277.15	22% PEG 3350, 0.1M MES pH 6.2