4I7J
T4 Lysozyme L99A/M102H with benzene 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 | 2010-10-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.116 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.390, 75.580, 52.600 |
Unit cell angles | 90.00, 93.28, 90.00 |
Refinement procedure
Resolution | 48.311 - 1.670 |
R-factor | 0.2062 |
Rwork | 0.205 |
R-free | 0.23930 |
Structure solution method | PHENIX |
Starting model (for MR) | 4e97 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.355 |
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] | 48.311 | 48.310 | 1.760 |
High resolution limit [Å] | 1.670 | 10.000 | 1.670 |
Rmerge | 0.061 | 0.018 | 0.318 |
Number of reflections | 40938 | 182 | 6185 |
<I/σ(I)> | 12.71 | 37.98 | 3.06 |
Completeness [%] | 93.3 | 82.7 | 97.2 |
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 |