7DP0

Crystal structure of FMN and NADPH-dependent nitroreductase NfnB from sphigopyxis sp. strain HMH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2018-11-30
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9793
Spacegroup name	P 43 21 2
Unit cell lengths	90.626, 90.626, 101.642
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.559 - 2.100
R-factor	0.183309189838
Rwork	0.179
R-free	0.23259
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wzw
RMSD bond length	0.009
RMSD bond angle	1.148
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Number of reflections	26605	2614
<I/σ(I)>	12.73
Completeness [%]	99.9
Redundancy	13.4
CC(1/2)	1.000	0.427

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	100mM Tris pH7.0, 40%PEG300, 8% PEG 1000