6N1X
BshA from Staphylococcus aureus complexed with UDP and N-acetylglucosamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-10-06 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 2 3 |
Unit cell lengths | 135.143, 135.143, 135.143 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.029 - 2.350 |
R-factor | 0.1746 |
Rwork | 0.173 |
R-free | 0.19630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6d9t |
RMSD bond length | 0.008 |
RMSD bond angle | 0.913 |
Data reduction software | HKL-2000 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.390 |
High resolution limit [Å] | 2.350 | 6.360 | 2.350 |
Rmerge | 0.192 | 0.045 | 1.979 |
Rmeas | 0.197 | 0.046 | 2.026 |
Rpim | 0.042 | 0.011 | 0.432 |
Total number of observations | 773023 | ||
Number of reflections | 34569 | 1843 | 1713 |
<I/σ(I)> | 5.1 | ||
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 22.4 | 19.1 | 21.9 |
CC(1/2) | 1.000 | 0.705 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.05 M sodium formate, 6% polyethylene glycol 3350, 2.5 mM UDP-N-acetylglucosamine |