7LOG
T4 lysozyme mutant L99A in complex with 3-butylpyridine
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) | 0.9539 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 60.248, 60.248, 96.119 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 52.176 - 0.990 |
| R-factor | 0.1976 |
| Rwork | 0.198 |
| R-free | 0.19960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4w57 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.774 |
| 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] | 52.180 | 52.180 | 1.010 |
| High resolution limit [Å] | 0.990 | 5.420 | 0.990 |
| Rmerge | 0.036 | 0.023 | 0.862 |
| Rmeas | 0.037 | 0.024 | 0.963 |
| Rpim | 0.009 | 0.006 | 0.414 |
| Total number of observations | 1792794 | 14482 | 18829 |
| Number of reflections | 108816 | 800 | 3787 |
| <I/σ(I)> | 30.2 | 92.8 | 1.9 |
| Completeness [%] | 96.6 | 99.9 | 69.1 |
| Redundancy | 16.5 | 18.1 | 5 |
| CC(1/2) | 1.000 | 1.000 | 0.724 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 294 | Isopropanol, PEG 4000, Tris-Cl pH 8.0, Beta-mercaptoethanol, 2-hyrdoxyethyl disulfide |
