3H4Q
Crystal structure of putative acetyltransferase (NP_371943.1) from STAPHYLOCOCCUS AUREUS MU50 at 2.50 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-01-16 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837,0.97949,0.97964 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 84.489, 84.489, 69.685 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.661 - 2.500 |
R-factor | 0.22 |
Rwork | 0.219 |
R-free | 0.25300 |
Structure solution method | MAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.650 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.5) |
Phasing software | SOLVE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 27.661 | 27.660 | 2.560 |
High resolution limit [Å] | 2.500 | 11.180 | 2.500 |
Rmerge | 0.056 | 0.033 | 0.779 |
Total number of observations | 578 | 4064 | |
Number of reflections | 10262 | ||
<I/σ(I)> | 9.491 | 17.7 | 1 |
Completeness [%] | 99.9 | 94.5 | 100 |
Redundancy | 5.4 | 4.4 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.93 | 293 | 32.5000% polyethylene glycol 600, 5.0000% polyethylene glycol 1000, 10.0000% Glycerol, 0.1M MES pH 5.93, Additive: 0.001 M acetyl Coenzyme A, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 293K |