4TM8
Crystal structure of 6-phosphogluconolactonase from Mycobacterium smegmatis N131D mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-10-21 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 176.310, 176.310, 38.290 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.754 - 1.810 |
R-factor | 0.1763 |
Rwork | 0.175 |
R-free | 0.20140 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.287 |
Data scaling software | XSCALE |
Refinement software | PHENIX ((phenix.refine: dev_1394)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 55.754 | 1.920 | |
High resolution limit [Å] | 1.810 | 5.400 | 1.810 |
Rmerge | 0.048 | 0.040 | 0.612 |
Rmeas | 0.050 | 0.042 | 0.641 |
Total number of observations | 318419 | ||
Number of reflections | 27962 | 1177 | 4399 |
<I/σ(I)> | 26.93 | 59 | 4 |
Completeness [%] | 99.8 | 99.7 | 98.8 |
Redundancy | 11.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% polyethylene glycol 1000, 0.2 M Li2SO4, 0.1M phosphate/citrate |