3G0T
Crystal structure of putative aspartate aminotransferase (NP_905498.1) from Porphyromonas gingivalis W83 at 1.75 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-10-12 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.94645, 0.97967 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 220.440, 54.970, 81.154 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.401 - 1.750 |
R-factor | 0.139 |
Rwork | 0.137 |
R-free | 0.17100 |
Structure solution method | MAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.647 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.5) |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0053) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 34.401 | 34.401 | 1.800 |
High resolution limit [Å] | 1.750 | 7.830 | 1.750 |
Rmerge | 0.097 | 0.068 | 0.396 |
Total number of observations | 8726 | 9940 | |
Number of reflections | 96949 | ||
<I/σ(I)> | 5.515 | 6.8 | 1.7 |
Completeness [%] | 96.6 | 98.8 | 73.9 |
Redundancy | 6.5 | 6.8 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.1 | 277 | NANODROP, 0.20M NaF, 20.0% PEG 3350, No Buffer pH 7.1, VAPOR DIFFUSION, SITTING DROP, temperature 277K |