3GYA

Crystal structure of putative acetyltransferase (YP_001815201.1) from EXIGUOBACTERIUM SP. 255-15 at 1.62 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-07-21
Detector	ADSC QUANTUM 315
Wavelength(s)	0.918370,0.979394,0.978882
Spacegroup name	I 2 2 2
Unit cell lengths	55.793, 66.249, 87.769
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.896 - 1.620
R-factor	0.18
Rwork	0.179
R-free	0.20400
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.443
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.896	27.900	1.660
High resolution limit [Å]	1.620	7.240	1.620
Rmerge	0.078	0.037	0.668
Total number of observations		924	6086
Number of reflections	20813
<I/σ(I)>	12.3	31.6	1.9
Completeness [%]	99.0	97.6	98.4
Redundancy	3.9	3.4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	3.2M ammonium sulfate, 0.1M MES pH 6.0, Additive: 0.001 M acetyl Co-enzyme A, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K