3GUL
T4 lysozyme M102E/L99A mutant with buried charge in apolar cavity--ethylbenzene binding
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-07 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 43 |
| Unit cell lengths | 49.274, 49.274, 129.332 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.050 - 2.070 |
| R-factor | 0.2397 |
| Rwork | 0.237 |
| R-free | 0.29252 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gui |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.172 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.050 | 2.140 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Rmerge | 0.046 | 0.331 |
| Number of reflections | 18739 | |
| <I/σ(I)> | 27 | 3.5 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 30% PEG 8000, 0.14M magnesium/calcium sulfate, 0.1M PIPES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
