6X5X

Crystal structure o BmooMP-I, a P-I metalloproteinase from Bothrops moojeni

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-11
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.425
Spacegroup name	P 32 2 1
Unit cell lengths	70.344, 70.344, 97.205
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.831 - 1.920
R-factor	0.1611
Rwork	0.160
R-free	0.18060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gbo
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.000
High resolution limit [Å]	1.920	3.990	1.920
Rmerge	0.156	0.082	0.874
Rmeas	0.162	0.085	0.906
Rpim	0.043	0.023	0.235
Total number of observations	310194
Number of reflections	21808	2567	2395
<I/σ(I)>	4.7
Completeness [%]	99.9	99.5	100
Redundancy	14.2	13.8	14.6
CC(1/2)		0.997	0.894

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	PEG 400, Tris HCl pH 8.5, Lithium sulfate, sodium sulfate