7YKB

Neutron Structure of PcyA D105N Mutant Complexed with Biliverdin 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]	300
Detector technology	PIXEL
Collection date	2021-06-06
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	71.174, 97.523, 43.277
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.120 - 2.100
Rwork	0.166
R-free	0.18060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3f0m
RMSD bond length	0.016
RMSD bond angle	1.461
Phasing software	REFMAC
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.280	2.170	1.400
High resolution limit [Å]	1.380	2.100	1.380
Number of reflections	62402	1795	3099
<I/σ(I)>	12.2
Completeness [%]	99.6
Redundancy	4.9
CC(1/2)	0.997	0.479	0.752

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	NaCl, ammonium sulfate, MES
1	VAPOR DIFFUSION, SITTING DROP		293	NaCl, ammonium sulfate, MES