4HXE

Pyrococcus horikoshii acylaminoacyl peptidase (uncomplexed)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-06-17
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	H 3 2
Unit cell lengths	183.000, 183.000, 144.630
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.780 - 1.910
R-factor	0.1741
Rwork	0.172
R-free	0.21021
Structure solution method	MIRAS
RMSD bond length	0.018
RMSD bond angle	1.944
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MLPHARE
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	2.100	2.000
High resolution limit [Å]	1.900	2.000	1.900
Rmerge	0.158	0.605	0.686
Number of reflections	69738
<I/σ(I)>	12.79	3.11	1.87
Completeness [%]	95.7	95.6	74.6
Redundancy	8.32	5.3	2.84

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	3.0 M 1,6-hexanediol, 0.20 M MgCl2, 0.1 M Tris/HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	3.0 M 1,6-hexanediol, 0.20 M MgCl2, 0.1 M Tris/HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	3.0 M 1,6-hexanediol, 0.20 M MgCl2, 0.1 M Tris/HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	3.0 M 1,6-hexanediol, 0.20 M MgCl2, 0.1 M Tris/HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	3.0 M 1,6-hexanediol, 0.20 M MgCl2, 0.1 M Tris/HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K