7LOJ
T4 lysozyme mutant L99A in complex with 4-(3-phenylpropyl)aniline
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 | 2018-11-11 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.11583 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 60.402, 60.402, 95.855 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 52.310 - 1.500 |
| R-factor | 0.1861 |
| Rwork | 0.185 |
| R-free | 0.20180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4w57 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.803 |
| 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] | 52.310 | 52.310 | 1.530 |
| High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
| Rmerge | 0.036 | 0.028 | 0.181 |
| Rmeas | 0.038 | 0.031 | 0.208 |
| Rpim | 0.013 | 0.011 | 0.099 |
| Total number of observations | 281442 | 2137 | 7236 |
| Number of reflections | 32996 | 255 | 1570 |
| <I/σ(I)> | 30.8 | 67.5 | 6.1 |
| Completeness [%] | 99.7 | 99.7 | 96.9 |
| Redundancy | 8.5 | 8.4 | 4.6 |
| CC(1/2) | 0.998 | 0.979 | 0.921 |
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 |
