2VQX

Precursor of Protealysin, Metalloproteinase from Serratia proteamaculans.

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	2007-06-19
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	70.760, 78.650, 59.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.630 - 1.821
R-factor	0.17141
Rwork	0.170
R-free	0.20205
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1npc
RMSD bond length	0.010
RMSD bond angle	1.039
Data reduction software	XDS
Data scaling software	XDS
Phasing software	BALBES
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.600	2.000
High resolution limit [Å]	1.800	1.800
Rmerge	0.030	0.090
Number of reflections	28551
<I/σ(I)>	26.9	11.07
Completeness [%]	90.9	78.6
Redundancy	2.82	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6		THE HANGING-DROP VAPOR DIFFUSION METHOD AGAINST A PRECIPITANT SOLUTION OF 15% PEG MME 2000, 0.2M AMMONIUM SULPHATE, 0.1 M SODIUM ACETATE PH 4.6. DROPLETS CONTAINED 3 MKL OF 10 MG/ML PROTEIN SOLUTION AND 1.5 MKL PRECIPITANT SOLUTION WITH 0.06% BETA-OCTIL-D-GLUCOPYRANOSIDE IN THE SAME BUFFER