2GFG

Crystal structure of a putative adenylate cyclase (bh2851) from bacillus halodurans at 2.12 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2005-12-16
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9797, 1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	43.030, 74.690, 188.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.250 - 2.120
R-factor	0.227
Rwork	0.225
R-free	0.27400
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	0.782
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHARP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.240		2.200
High resolution limit [Å]	2.120	3.620	2.120
Rmerge	0.047	0.032	0.282
Number of reflections	34799	6576	4866
<I/σ(I)>	9.24	17.9	2.2
Completeness [%]	93.1	99.2	69

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP, NANODROP	4	277	18.0% PEG-6000, 0.5M LiCl, 0.1M Citrate, pH 4.0, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K