4Z85

Crystal structur of Pseudomonas fluorescens 2-nitrobenzoate 2-nitroreductase NbaA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97188
Spacegroup name	P 64
Unit cell lengths	70.508, 70.508, 80.412
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.095 - 1.700
R-factor	0.189
Rwork	0.188
R-free	0.21610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1eje
RMSD bond length	0.007
RMSD bond angle	1.097
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	1.700
Number of reflections	24944
<I/σ(I)>	92.4
Completeness [%]	99.5
Redundancy	21.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	287	0.1 M sodium acetate (pH 4.6), 1 mM FMN, 1 mM MnCl2, 30% v/v PEG 4000