3WJF

Crystal structure of mutant nitrobindin M75L/H76L/Q96C/V128W/M148L/H158L (NB9) 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	C 1 2 1
Unit cell lengths	88.604, 73.266, 59.518
Unit cell angles	90.00, 111.75, 90.00

Refinement procedure

Resolution	40.000 - 2.200
R-factor	0.20927
Rwork	0.206
R-free	0.27103
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.961
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	2.280
High resolution limit [Å]	2.200	2.200
Number of reflections	17383
<I/σ(I)>	23	2.8
Completeness [%]	95.1	90.3

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