7LOE
T4 lysozyme mutant L99A in complex with 1-fluoranylnaphthalene
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-24 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.95386 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 60.078, 60.078, 96.266 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 52.029 - 1.010 |
| R-factor | 0.2046 |
| Rwork | 0.204 |
| R-free | 0.21880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4w57 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.743 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 96.270 | 96.270 | 1.030 |
| High resolution limit [Å] | 1.010 | 5.530 | 1.010 |
| Rmerge | 0.047 | 0.017 | 2.093 |
| Rmeas | 0.048 | 0.018 | 2.263 |
| Rpim | 0.011 | 0.004 | 0.825 |
| Total number of observations | 1783109 | 14438 | 27449 |
| Number of reflections | 103054 | 762 | 3978 |
| <I/σ(I)> | 23.8 | 100.1 | 0.9 |
| Completeness [%] | 97.4 | 100 | 76.5 |
| Redundancy | 17.3 | 18.9 | 6.9 |
| CC(1/2) | 1.000 | 1.000 | 0.387 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 294 | Isopropanol, PEG 4000, Tris-Cl pH 8.0, Beta-mercaptoethanol, 2-hyrdoxyethyl disulfide |
