7CV0

Crystal structure of B. halodurans NiaR in apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97941
Spacegroup name	P 43 21 2
Unit cell lengths	42.365, 42.365, 176.203
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.926 - 1.998
R-factor	0.203
Rwork	0.202
R-free	0.22780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1j5y
RMSD bond length	0.003
RMSD bond angle	0.513
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.030
High resolution limit [Å]	1.998	2.000
Rmerge	0.111	0.401
Number of reflections	11730	552
<I/σ(I)>	23.211	9.6
Completeness [%]	100.0	100
Redundancy	13.1	13.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		296	tacsimate, Bis-Tris pH 6.5, PEG 3350