5TXW

Structure of Pfp1 protease from Thermococcus thioreducens: large cell H3 crystal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	298
Detector technology	CCD
Collection date	2013-04-10
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54187
Spacegroup name	H 3
Unit cell lengths	152.850, 152.850, 82.541
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.220 - 1.860
R-factor	0.12962
Rwork	0.127
R-free	0.17340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1g2i
RMSD bond length	0.009
RMSD bond angle	1.230
Data reduction software	iMOSFLM (7.1.3)
Data scaling software	Aimless (0.5.8)
Phasing software	CNS (1.2)
Refinement software	REFMAC (5.8.0107)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.220	1.900
High resolution limit [Å]	1.860	1.860
Rmerge	0.123	0.583
Number of reflections	52126
<I/σ(I)>	11.9	0.6
Completeness [%]	86.3	33.5
Redundancy	8.8	1
CC(1/2)	0.992	0.485

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	1.4 M Sodium Citrate, pH 6.5, vapor diffusion, sitting drop