4HRW

Identification of function and Mechanistic insights of Guanine deaminase from Nitrosomonas europaea

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E DW
Detector technology	IMAGE PLATE
Collection date	2012-02-14
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5417
Spacegroup name	P 21 21 21
Unit cell lengths	38.110, 73.250, 109.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.000 - 2.430
Rwork	0.206
R-free	0.26150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g84
RMSD bond length	0.006
RMSD bond angle	1.190
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.530
High resolution limit [Å]	2.430	5.250	2.430
Rmerge	0.099	0.063	0.299
Number of reflections	12160
<I/σ(I)>	18.6
Completeness [%]	99.5	98.3	99.6
Redundancy	7.6	7.2	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	281	0.2M MgCl2, 25% PEG 3350, 0.1M Bis-Tris, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 281K