3BLN

Crystal structure of acetyltransferase GNAT family (NP_981174.1) from Bacillus cereus ATCC 10987 at 1.31 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2007-10-26
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.91840, 0.97953, 0.97939
Spacegroup name	P 21 21 2
Unit cell lengths	43.370, 89.553, 37.228
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.630 - 1.310
R-factor	0.138
Rwork	0.137
R-free	0.17300
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.603
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.630	28.630	1.340
High resolution limit [Å]	1.310	5.860	1.310
Rmerge	0.103	0.102	0.375
Total number of observations		1439	3621
Number of reflections	34064
<I/σ(I)>	2.1	4	1.9
Completeness [%]	95.4	97.5	71.7
Redundancy	3.3	3.1	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	277	NANODROP, 10.0% Glycerol, 35.0% MPD, 0.1M Acetate pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K