8IVP
Crystal structure of MV in complex with LLP and FRU from Mycobacterium vanbaalenii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-10-14 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 80.707, 112.243, 92.098 |
Unit cell angles | 90.00, 112.31, 90.00 |
Refinement procedure
Resolution | 45.140 - 1.930 |
R-factor | 0.153 |
Rwork | 0.151 |
R-free | 0.18800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.678 |
Data reduction software | HKL-2000 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.990 |
High resolution limit [Å] | 1.920 | 4.140 | 1.920 |
Rmerge | 0.115 | 0.048 | 0.545 |
Rmeas | 0.126 | 0.052 | 0.595 |
Rpim | 0.050 | 0.021 | 0.232 |
Total number of observations | 668005 | ||
Number of reflections | 106452 | 11300 | 10275 |
<I/σ(I)> | 11.1 | ||
Completeness [%] | 93.2 | 97.4 | 90.6 |
Redundancy | 6.3 | 6.5 | 6.2 |
CC(1/2) | 0.991 | 0.996 | 0.767 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.2 M lithium sulfate,0.1M Tris, pH 8.5,1.26M ammonium sulfate |