3BBH

M. jannaschii Nep1 complexed with Sinefungin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-10-06
Detector	NOIR-1
Wavelength(s)	0.9790
Spacegroup name	P 21 21 21
Unit cell lengths	84.599, 89.560, 94.156
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.671 - 2.250
R-factor	0.2161
Rwork	0.214
R-free	0.24420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bbd
RMSD bond length	0.007
RMSD bond angle	1.019
Data reduction software	d*TREK
Data scaling software	d*TREK
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.330
High resolution limit [Å]	2.250	2.250
Number of reflections	34563
<I/σ(I)>	15.2	2.8
Completeness [%]	99.9	99.9
Redundancy	7	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	10	277	100 mM glycine, 20-24% polyethylene glycol 400, 30% glycerol and 0-200 mM trimethylamine-N-oxide, pH 10.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K