7JMU
Hen egg-white lysozyme with ionic liquid ethylammonium nitrate
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 | 2019-10-16 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.953646 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 27.585, 62.637, 59.645 |
Unit cell angles | 90.00, 90.54, 90.00 |
Refinement procedure
Resolution | 29.820 - 1.200 |
R-factor | 0.149 |
Rwork | 0.147 |
R-free | 0.18270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dpw |
RMSD bond length | 0.019 |
RMSD bond angle | 2.236 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHENIX |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.190 | 43.190 | 1.220 |
High resolution limit [Å] | 1.200 | 6.570 | 1.200 |
Rmerge | 0.046 | 0.029 | 0.345 |
Rmeas | 0.049 | 0.031 | 0.378 |
Rpim | 0.019 | 0.012 | 0.152 |
Total number of observations | 417805 | 2709 | 15754 |
Number of reflections | 60488 | 406 | 2631 |
<I/σ(I)> | 19.5 | 54 | 3.9 |
Completeness [%] | 95.5 | 99.1 | 85.2 |
Redundancy | 6.9 | 6.7 | 6 |
CC(1/2) | 0.999 | 0.999 | 0.938 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 8 | 298.15 | 5.7% w/v ethylammonium nitrate |