5D00
Crystal structure of BshA from B. subtilis complexed with N-acetylglucosaminyl-malate and UMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-12-13 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.078 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 90.660, 164.627, 97.729 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 82.310 - 2.150 |
| R-factor | 0.1868 |
| Rwork | 0.184 |
| R-free | 0.23410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mbo |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.823 |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 93.730 | 2.270 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.093 | 0.690 |
| Number of reflections | 40122 | |
| <I/σ(I)> | 15 | 3.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.6 | 9.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 2% (v/v) tascimate, 6% (w/v) PEG-3400, 25 mM NaCl, 10 mM HEPES, 5 mM UDP-N-acetylglucosamine |
