5TW0

Structure of Pfp1 protease from Thermococcus thioreducens: small 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	2013-04-19
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54187
Spacegroup name	H 3
Unit cell lengths	91.576, 91.576, 118.705
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.970 - 1.960
R-factor	0.1502
Rwork	0.148
R-free	0.19420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	partially refined model from a different crystal form
RMSD bond length	0.008
RMSD bond angle	1.120
Data reduction software	MOSFLM (7.1.3)
Data scaling software	Aimless (0.5.8)
Phasing software	PHASER (2.5.7)
Refinement software	REFMAC (5.8.0107)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	32.970	32.970	2.010
High resolution limit [Å]	1.960	8.980	1.960
Rmerge	0.135	0.075	0.424
Number of reflections	23283
<I/σ(I)>	10.9	33.3	1.4
Completeness [%]	87.2	97.5	28
Redundancy	9.5	21.1	1.2
CC(1/2)	0.998	0.997	0.537

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	20% PEG 3350, 0.2 M sodium citrate