3E11

Crystal structure of a predicted zincin-like metalloprotease (acel_2062) from acidothermus cellulolyticus 11b at 1.80 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-05-13
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97949,0.91837,0.97879
Spacegroup name	P 1 21 1
Unit cell lengths	39.030, 58.820, 46.930
Unit cell angles	90.00, 93.51, 90.00

Refinement procedure

Resolution	29.437 - 1.800
R-factor	0.176
Rwork	0.175
R-free	0.20400
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.386
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.437	29.437	1.860
High resolution limit [Å]	1.800	3.870	1.800
Rmerge	0.063	0.024	0.480
Number of reflections	19523	3751	3422
<I/σ(I)>		22.4	1.7
Completeness [%]	95.3	96.1	94.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.17	277	24.0% polyethylene glycol 8000, 0.167M calcium acetate, 0.1M MES pH 6.17, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K, VAPOR DIFFUSION, SITTING DROP