7LV6
The structure of MalL mutant enzyme S536R from Bacillus subtilis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-05-01 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.953735 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.749, 100.999, 61.749 |
Unit cell angles | 90.00, 113.06, 90.00 |
Refinement procedure
Resolution | 33.540 - 1.100 |
R-factor | 0.1265 |
Rwork | 0.126 |
R-free | 0.14510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4m56 |
Data reduction software | XDS (VERSION Nov 1, 2016 BUILT=20161205) |
Data scaling software | Aimless (0.7.4) |
Phasing software | MOLREP (11.6.04) |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.850 | 1.120 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmerge | 0.107 | 0.548 |
Rmeas | 0.112 | 0.592 |
Rpim | 0.031 | 0.221 |
Total number of observations | 2270037 | |
Number of reflections | 208774 | 9509 |
<I/σ(I)> | 12.7 | |
Completeness [%] | 94.2 | 87.1 |
Redundancy | 10.9 | 6.9 |
CC(1/2) | 0.998 | 0.884 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 0.1 M Tris, pH 8.0, 0.2 M ammonium acetate, 18% w/v PEG10000 |