3WJB

Crystal structure of mutant nitrobindin M75L/H76L/Q96C/M148L/H158L (NB4) from Arabidopsis thaliana

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-09-04
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.54178
Spacegroup name	P 41
Unit cell lengths	67.803, 67.803, 130.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.19714
Rwork	0.194
R-free	0.24794
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.029
RMSD bond angle	2.674
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

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	29400
<I/σ(I)>	14.9	3.3
Completeness [%]	98.3	97.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	5mM MES, 200mM NaCl, 100mM MES, 26% polyethylene glycol 400 , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K