5D01
Crystal structure of BshA from B. subtilis complexed with N-acetylglucosaminyl-malate
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 | 2015-06-13 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.078 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 89.060, 163.250, 97.246 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 81.630 - 2.020 |
| R-factor | 0.1959 |
| Rwork | 0.193 |
| R-free | 0.25280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mbo |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.737 |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 97.250 | 2.130 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Rmerge | 0.057 | 0.709 |
| Number of reflections | 46645 | |
| <I/σ(I)> | 19.5 | 2.5 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 7.4 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 100 mM ammonium citrate, 10% (w/v) PEG 3400, 10 mM HEPES, 25 mM NaCl, 5 mM UDP-N-acetylglucosamine, 5 mM malate. |
