4I7N
T4 Lysozyme L99A/M102H with 1-phenyl-2-propyn-1-ol 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 | 2012-06-02 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.116 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.630, 75.140, 52.720 |
Unit cell angles | 90.00, 93.18, 90.00 |
Refinement procedure
Resolution | 48.555 - 1.580 |
R-factor | 0.1758 |
Rwork | 0.175 |
R-free | 0.20170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4e97 |
RMSD bond length | 0.017 |
RMSD bond angle | 1.564 |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.555 | 48.555 | 1.670 |
High resolution limit [Å] | 1.580 | 10.000 | 1.580 |
Rmerge | 0.051 | 0.014 | 0.378 |
Number of reflections | 50324 | 204 | 7275 |
<I/σ(I)> | 13.58 | 43.1 | 2.32 |
Completeness [%] | 97.0 | 92.7 | 91.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 277 | 0.1 M sodium acetate, pH 4.5, 30% (w/v) PEG-6000, 0.3 M LiSO4, 3% (w/v) TMAO, 50 mM 2-mercaptoethanol, 50 mM 2-hydroxyethyl disulfide, vapor diffusion, hanging drop, temperature 277K |