4ON1

Crystal Structure of metalloproteinase-II from Bacteroides fragilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 12.3.1
Synchrotron site	ALS
Beamline	12.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-20
Detector	ADSC QUANTUM 315
Wavelength(s)	1.03319
Spacegroup name	P 21 21 21
Unit cell lengths	44.424, 114.395, 140.213
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.319 - 2.130
R-factor	0.1612
Rwork	0.159
R-free	0.20040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.916
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.190
High resolution limit [Å]	2.130	2.130
Rmerge	0.135	0.580
Number of reflections	41324
<I/σ(I)>	21	4.8
Completeness [%]	100.0	100
Redundancy	12.4	10.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294	Well solution: 20% PEG3330, 0.2M MgCl2 Crystallization drop: 50% of 25 mM HEPES buffer, 100 mM NaCl, 4 mM CaCl2 and 50% of the well solution, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K