2HBW

Crystal structure of a putative endopeptidase (ava_3396) from anabaena variabilis atcc 29413 at 1.05 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	2006-02-13
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979008, 0.918370, 0.979291
Spacegroup name	P 21 21 2
Unit cell lengths	76.480, 86.891, 37.288
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.007 - 1.050
R-factor	0.126
Rwork	0.125
R-free	0.14900
Structure solution method	MAD
RMSD bond length	0.020
RMSD bond angle	1.936
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.007		1.090
High resolution limit [Å]	1.050	1.800	1.050
Rmerge	0.075	0.073	0.679
Number of reflections	116587
<I/σ(I)>	10.83	22.7	2.3
Completeness [%]	96.7	99.8	90.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP, NANODROP	4.5	277	20.0% 1,4-butanediol, 0.1M Acetate, pH 4.5, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K