3TX2
Structure of a Probable 6-phosphogluconolactonase from Mycobacterium abscessus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-09-20 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97949 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 136.350, 41.180, 44.970 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 68.180 - 1.500 |
R-factor | 0.1926 |
Rwork | 0.192 |
R-free | 0.21060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ico |
RMSD bond length | 0.009 |
RMSD bond angle | 1.379 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.3.0) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 68.180 | 1.540 | |
High resolution limit [Å] | 1.500 | 6.710 | 1.500 |
Rmerge | 0.068 | 0.026 | 0.448 |
Number of reflections | 41365 | 529 | 3016 |
<I/σ(I)> | 17.07 | 37.38 | 4.37 |
Completeness [%] | 99.6 | 95.8 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 1600mM sodium citrate, Protein 51.9 mg/ml, Cryo protectant 25% ethlyene glycol, Target DB: MyabA.01244.a.A1 PS00890, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 289K |