1Y9W
Structural Genomics, 1.9A crystal structure of an acetyltransferase from Bacillus cereus ATCC 14579
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-02-18 |
Detector | SBC-2 |
Wavelength(s) | 0.9795,0.9797,0.94656 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.032, 65.344, 89.193 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.800 - 1.900 |
R-factor | 0.202 |
Rwork | 0.202 |
R-free | 0.25400 |
Structure solution method | MAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.200 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.074 | 0.558 |
Number of reflections | 45795 | |
<I/σ(I)> | 30.4 | 2.18 |
Completeness [%] | 93.4 | 85.2 |
Redundancy | 4.5 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.05M MgCl2, 0.1M HEPES, 30% PEG MME550, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |