1ELI

COMPLEX OF MONOMERIC SARCOSINE OXIDASE WITH THE INHIBITOR PYRROLE-2-CARBOXYLATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-08-17
Detector	RIGAKU RAXIS
Spacegroup name	P 1 21 1
Unit cell lengths	72.825, 69.360, 73.737
Unit cell angles	90.00, 94.14, 90.00

Refinement procedure

Resolution	500.000 - 2.000
R-factor	0.163
Rwork	0.163
R-free	0.21300
RMSD bond length	0.011
RMSD bond angle	1.700
Data scaling software	SCALEPACK
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	500.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.083	0.330
Number of reflections	44120
<I/σ(I)>	13.4
Completeness [%]	89.1	47.2
Redundancy	5.6	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8 *	295	drop consists of equal amounts of protein and reservoir solutions *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7 (mg/ml)
2	1	drop	Tris-HCl	20 (mM)
3	1	reservoir	sodium/potassium phosphate	2.1 (M)