9YJM

Joint X-ray/neutron structure of D132N Bacillus halodurans RNase H1 in the apo-form

Experimental procedure

Experimental method	LAUE
Source type	NUCLEAR REACTOR
Source details	ORNL High Flux Isotope Reactor BEAMLINE CG4D
Synchrotron site	ORNL High Flux Isotope Reactor
Beamline	CG4D
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	2024-02-28
Detector	MAATEL IMAGINE
Wavelength(s)	2.8-4.5
Spacegroup name	P 31 2 1
Unit cell lengths	67.417, 67.417, 60.798
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.000 - 2.400
Rwork	0.241
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.000
Data reduction software	LAUEGEN
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	nCNS (1.0.8)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.740	2.530	2.280
High resolution limit [Å]	2.400	2.400	2.200
Rmerge	0.143	0.326	0.663
Rpim	0.056	0.156	0.355
Number of reflections	5059	577	844
<I/σ(I)>	5.7	2.4	1.2
Completeness [%]	81.3	64.3	93.8
Redundancy	5.6	4	4.4
CC(1/2)	0.968	0.736	0.554

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	291	0.1 M NaOAc pH 5.0, 0.2 M (NH4)2SO4, and 20% PEG 3350
1	VAPOR DIFFUSION, SITTING DROP	5	291	0.1 M NaOAc pH 5.0, 0.2 M (NH4)2SO4, and 20% PEG 3350