5JRU

Crystal structure of Fe(II) unliganded H-NOX protein from C. subterraneus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	80
Detector technology	CCD
Collection date	2014-11-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.99994
Spacegroup name	P 1 21 1
Unit cell lengths	86.264, 70.446, 108.419
Unit cell angles	90.00, 104.93, 90.00

Refinement procedure

Resolution	44.919 - 2.305
R-factor	0.1938
Rwork	0.192
R-free	0.25440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lah
RMSD bond length	0.014
RMSD bond angle	1.646
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.920	2.340
High resolution limit [Å]	2.300	2.300
Number of reflections	55562
<I/σ(I)>	17.12	4.8
Completeness [%]	99.7	96.5
Redundancy	2.01
CC(1/2)	0.968

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Anaerobically grown under Argon. 30 mg/mL protein with well condition of 0.1 M NaI, 22% PEG 3350.