1OIE

5'-Nucleotidase (E. coli) with an Engineered Disulfide Bridge (S228C, P513C)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR571
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-03-15
Detector	MARRESEARCH
Spacegroup name	P 41 21 2
Unit cell lengths	83.132, 83.132, 180.664
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.540 - 2.330
R-factor	0.171
Rwork	0.168
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hp1
RMSD bond length	0.024
RMSD bond angle	1.742
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.1.19)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.410
High resolution limit [Å]	2.330	2.330
Rmerge	0.066	0.165
Number of reflections	193519
<I/σ(I)>	28.4	11.8
Completeness [%]	99.7	100
Redundancy	6.96	6.84

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		2.1 MALONATE PH 6.5