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 |