3W5W

Mn2+-GMP complex of nanoRNase (Nrn) from Bacteroides fragilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-06
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.000000
Spacegroup name	P 32 2 1
Unit cell lengths	90.828, 90.828, 107.878
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.950
Rwork	0.215
R-free	0.27010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3DMA
RMSD bond length	0.007
RMSD bond angle	1.313
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.000
High resolution limit [Å]	2.950	8.000	2.950
Rmerge	0.092	0.032	0.302
Number of reflections	11209
<I/σ(I)>	9.1
Completeness [%]	99.8	96.8	100
Redundancy	21.9	19.6	22.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	293	0.1M sodium acetate trihydrate (pH 5.2), 1.6M NaCl, 5mM MgCl2, 10mM 3'-phosphoguanosine 5' phophate, VAPOR DIFFUSION, HANGING DROP, temperature 293K