1OI8

5'-Nucleotidase (E. coli) with an Engineered Disulfide Bridge (P90C, L424C)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-11-15
Detector	MARRESEARCH
Spacegroup name	P 41 21 2
Unit cell lengths	97.689, 97.689, 312.051
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.960 - 2.100
R-factor	0.159
Rwork	0.156
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ho5
RMSD bond length	0.022
RMSD bond angle	1.743
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.19)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.069	0.267
Number of reflections	89316
<I/σ(I)>	17.2	4.7
Completeness [%]	95.1	95.6
Redundancy	3.2	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8		1.8 M LI2SO4, 100MM TRIS, 1MM MNCL, 10 MM BETAINE, 10% 2-METHYL-2,4-PENTANDIOLE, pH 8.00