6QIG

Metalloproteinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-14
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.969
Spacegroup name	P 32 2 1
Unit cell lengths	87.532, 87.532, 407.342
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.200 - 2.800
R-factor	0.2076
Rwork	0.205
R-free	0.24715
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ghm 4wk7
RMSD bond length	0.010
RMSD bond angle	1.974
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.200	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.167
Number of reflections	45840
<I/σ(I)>	11.7
Completeness [%]	99.3
Redundancy	12.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	35% (v/v) pentaerythritol ethoxylate, 200 mM CaCl2, 100 mM HEPES, pH 6.5