4MAZ
The Structure of MalL mutant enzyme V200S from Bacillus subtilus
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 | 2012-09-28 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.470, 100.710, 61.440 |
Unit cell angles | 90.00, 112.77, 90.00 |
Refinement procedure
Resolution | 24.690 - 1.600 |
R-factor | 0.1625 |
Rwork | 0.161 |
R-free | 0.18820 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.021 |
RMSD bond angle | 1.979 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.1.27) |
Phasing software | PHASER (2.3.0) |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 56.644 | 24.690 | 1.530 |
High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
Rmerge | 0.092 | 0.010 | 0.010 |
Total number of observations | 3566 | 25070 | |
Number of reflections | 82176 | ||
<I/σ(I)> | 15.1 | 42.1 | 1.8 |
Completeness [%] | 95.0 | 96.2 | 88.8 |
Redundancy | 6.6 | 6.6 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 100 mM Tris pH 7.5, 24% (w/v) PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 291K |