6N91

Crystal Structure of Adenosine Deaminase from Vibrio cholerae Complexed with Pentostatin (Deoxycoformycin)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97895
Spacegroup name	P 32 2 1
Unit cell lengths	134.906, 134.906, 136.144
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.914 - 2.050
R-factor	0.1549
Rwork	0.154
R-free	0.17440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6n9m
RMSD bond length	0.007
RMSD bond angle	0.991
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.090
High resolution limit [Å]	2.050	2.050
Rmerge	0.146	0.967
Number of reflections	89846	4470
<I/σ(I)>	19.1	2.18
Completeness [%]	100.0	99.9
Redundancy	7.9	7.5
CC(1/2)		0.773

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	1.2M NaH2PO4/0.8M K2HPO4; 0.1M CAPS pH 10.5; 0.2M Li2SO4