5WCZ
Crystal Structure of Wild-Type MalL from Bacillus subtilis with TS analogue 1-deoxynojirimycin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-02-27 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.585, 98.835, 101.345 |
| Unit cell angles | 90.00, 103.08, 90.00 |
Refinement procedure
| Resolution | 46.778 - 1.580 |
| R-factor | 0.1712 |
| Rwork | 0.170 |
| R-free | 0.19740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4m56 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.806 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.21) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.780 | 1.670 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.681 | |
| Number of reflections | 159542 | |
| <I/σ(I)> | 16.4 | 1.1 |
| Completeness [%] | 99.0 | 97.2 |
| Redundancy | 9 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 291 | 10 % (v/v) Tacsimate, 0.1 M MES monohydrate, 25 % (w/v) polyethylene glycol 4000 |
