3WJC

Crystal structure of mutant nitrobindin M75L/H76L/Q96C/M148L/H158L covalently linked with [Rh(Cp-Mal)(COD)] (NB4-Rh) 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	2013-09-14
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.54178
Spacegroup name	P 41
Unit cell lengths	67.888, 67.888, 129.895
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.24177
Rwork	0.239
R-free	0.29500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	4.241
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	2.070
High resolution limit [Å]	2.000	2.000
Number of reflections	38003
<I/σ(I)>	11.1	3
Completeness [%]	95.9	93

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