3WJE

Crystal structure of mutant nitrobindin M75W/H76L/Q96C/M148L/H158L (NB6) 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	88.555, 72.541, 59.795
Unit cell angles	90.00, 111.63, 90.00

Refinement procedure

Resolution	40.000 - 1.700
R-factor	0.17951
Rwork	0.178
R-free	0.21573
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	2.154
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	1.760
High resolution limit [Å]	1.700	1.700
Number of reflections	37730
<I/σ(I)>	40.4	3.1
Completeness [%]	97.3	94.5

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