2AEV

MJ0158, NaBH4-reduced form

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	100
Detector technology	CCD
Collection date	2001-04-05
Detector	MARRESEARCH
Wavelength(s)	0.9796, 0.9808, 0.95
Spacegroup name	P 21 21 2
Unit cell lengths	57.998, 72.736, 82.625
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.000 - 2.000
R-factor	0.22464
Rwork	0.222
R-free	0.27070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID 2AEU
RMSD bond length	0.008
RMSD bond angle	1.174
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.000	2.100
High resolution limit [Å]	1.950	2.000
Number of reflections	24290
Completeness [%]	90.5	86.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	2.2	293	PEG400, ammonium sulfate, pH 2.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	2.2	293	PEG400, ammonium sulfate, pH 2.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	2.2	293	PEG400, ammonium sulfate, pH 2.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K