7YL8

Neutron structure of Bacillus thermoproteolyticus Ferredoxin at room temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	297
Detector technology	CCD
Collection date	2018-12-10
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	70.430, 37.910, 33.010
Unit cell angles	90.00, 105.96, 90.00

Refinement procedure

Resolution	15.120 - 1.600
Rwork	0.162
R-free	0.18420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1iqz
RMSD bond length	0.011
RMSD bond angle	1.065
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	1.660	1.480
High resolution limit [Å]	1.450	1.600	1.450
Rmerge		0.460
Rpim		0.193
Number of reflections	15007	6888	748
<I/σ(I)>	25.2
Completeness [%]	100.0
Redundancy	6.7
CC(1/2)	0.999		0.894

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICRODIALYSIS		277	MES, ammonium sulfate
1	MICRODIALYSIS		277	MES, ammonium sulfate