4NS4

Crystal structure of cold-active estarase from Psychrobacter cryohalolentis K5T

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	2012-04-19
Detector	MAR CCD 165 mm
Wavelength(s)	0.984
Spacegroup name	P 21 21 21
Unit cell lengths	53.200, 59.400, 105.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.590 - 2.150
R-factor	0.19043
Rwork	0.187
R-free	0.25436
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1j1i
RMSD bond length	0.020
RMSD bond angle	1.961
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	BALBES
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.250
High resolution limit [Å]	2.120	2.120
Number of reflections	19246
Completeness [%]	99.1	95.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1M HEPES, 14% PEG4000, 10% 2-propanol, 15% glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K