3EQ8

Prolyl oligopeptidase complexed with R-Pro-(decarboxy-Pro)-Type inhibitors

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1998-05-28
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	72.230, 101.500, 112.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.030 - 2.730
R-factor	0.1768
Rwork	0.177
R-free	0.25330
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1qfs
RMSD bond length	0.002
RMSD bond angle	0.718
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.378	2.880
High resolution limit [Å]	2.724	2.724
Rmerge	0.177	0.521
Number of reflections	21070
<I/σ(I)>	3.9
Completeness [%]	93.5	90.3
Redundancy	4.2	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	17% MPEG 5000, 15% glycerol, 20mM calcium acetate, 0.1M TRIS, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K