3WJD

Crystal structure of mutant nitrobindin F44W/M75L/H76L/Q96C/M148L/H158L (NB5) from Arabidopsis thaliana

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2013-05-12
Detector	RAYONIX MX300HE
Wavelength(s)	0.90000
Spacegroup name	P 21 21 2
Unit cell lengths	59.849, 79.419, 36.329
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.100
R-factor	0.14564
Rwork	0.145
R-free	0.16613
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.025
RMSD bond angle	2.250
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.140
High resolution limit [Å]	1.100	1.100
Number of reflections	70416
<I/σ(I)>	56.3	4.7
Completeness [%]	98.9	98.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	5mM MES, 200mM NaCl, 1mM dithioerythritol, 100mM Tris-HCl, 18-20% polyethylene glycol 2000, VAPOR DIFFUSION, HANGING DROP, temperature 293K