4QCD

Neutron crystal structure of phycocyanobilin:ferredoxin oxidoreductase in complex with biliverdin IXalpha at room temperature.

Experimental procedure

Experimental method	LAUE
Source type	NUCLEAR REACTOR
Source details	J-PARC MLF BEAMLINE BL-03
Synchrotron site	JPARC MLF
Beamline	BL-03
Temperature [K]	273
Collection date	2013-04-10
Wavelength(s)	3.0-5.6
Spacegroup name	P 21 21 2
Unit cell lengths	71.107, 97.278, 43.174
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.189 - 1.932
R-factor	0.1731
Rwork	0.167
R-free	0.22710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.376
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.580
High resolution limit [Å]	1.550	1.550
Number of reflections	43975
Completeness [%]	99.4	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.9	293	Ammonium Sulfate, NaCl, MES, pH 5.9, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	5.9	293	Ammonium Sulfate, NaCl, MES, pH 5.9, VAPOR DIFFUSION, SITTING DROP, temperature 293K