4HRQ

Identification of Function and Mechanistic Insights of Guanine Deaminase from Nitrosomonas europaea: Role of the C-terminal Loop in Catalysis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E DW
Collection date	2012-04-16
Detector	RIGAKU RAXIS IV++
Wavelength(s)	0.97
Spacegroup name	P 21 21 21
Unit cell lengths	38.254, 74.123, 110.189
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.900
Rwork	0.220
R-free	0.24630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g84
RMSD bond length	0.005
RMSD bond angle	1.170
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.890
High resolution limit [Å]	1.820	3.920	1.820
Rmerge	0.057	0.025	0.406
Number of reflections	28713
<I/σ(I)>	17.7
Completeness [%]	99.0	99.5	99
Redundancy	5.3	5.5	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	281	0.225M MgCl2, 25% PEG 3350, 0.1M Bis-tris, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 281K