4FKC

Recombinant prolidase from Thermococcus sibiricus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	KURCHATOV SNC BEAMLINE K4.4
Synchrotron site	KURCHATOV SNC
Beamline	K4.4
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-11
Detector	MAR CCD 165 mm
Wavelength(s)	0.9887
Spacegroup name	P 41 21 2
Unit cell lengths	89.700, 89.700, 165.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	78.830 - 2.600
R-factor	0.23293
Rwork	0.231
R-free	0.26859
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2how
RMSD bond length	0.012
RMSD bond angle	1.384
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	BALBES
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.830	2.800
High resolution limit [Å]	2.600	2.600
Rmerge	0.089	0.728
Number of reflections	21360
<I/σ(I)>	24.5	4.2
Completeness [%]	99.2	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	277	Protein solution (2mcl): 10.8 mg/mL Tsprol and 150 mM NaCl in 50 mM Tris buffer (pH 7.6). Reservoir solution (2mcl): 100 mM CdCl2 and 30 % v/v PEG400 in 100 mM sodium acetate buffer (pH 4.6), VAPOR DIFFUSION, HANGING DROP, temperature 277K