6P4D
Hen egg lysozyme (HEL) containing three point mutations (HEL3x): R21Q, R73E, and D101R
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 | 2018-02-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 77.550, 77.550, 37.770 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.770 - 1.050 |
| R-factor | 0.1227 |
| Rwork | 0.122 |
| R-free | 0.14500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lks |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.715 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.6.2) |
| Phasing software | PHASER (2.8.2) |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 38.770 | 38.770 | 1.070 |
| High resolution limit [Å] | 1.050 | 5.760 | 1.050 |
| Rmerge | 0.084 | 0.099 | 0.623 |
| Rmeas | 0.086 | 0.102 | 0.637 |
| Rpim | 0.018 | 0.023 | 0.132 |
| Total number of observations | 1294996 | 7925 | 61767 |
| Number of reflections | 54091 | 412 | 2610 |
| <I/σ(I)> | 20.6 | 45.1 | 4.5 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 23.9 | 19.2 | 23.7 |
| CC(1/2) | 0.998 | 0.995 | 0.947 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 293 | 12 mg/mL protein, 25 mM Tris, pH 8.0, 150 mM sodium chloride, spontaneous crystal growth |
