5JWS
T4 Lysozyme L99A with 1-Hydro-2-ethyl-1,2-azaborine Bound
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 | CCD |
| Collection date | 2015-06-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.11587 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 60.130, 60.130, 95.610 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.870 - 1.650 |
| R-factor | 0.1964 |
| Rwork | 0.194 |
| R-free | 0.23280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dmv |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.835 |
| Data reduction software | d*TREK (9.9.9.10L) |
| Data scaling software | d*TREK (9.9.9.10L) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.870 | 1.710 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.118 | 0.294 |
| Number of reflections | 23693 | |
| <I/σ(I)> | 3.3 | |
| Completeness [%] | 96.0 | 99.9 |
| Redundancy | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277.15 | 2.2 M sodium/potassium phosphate, pH 7.0, 50 mM 2-mercaptoethanol, 50 mM 2-hydroxyethyl disulfide |
