4W58
T4 Lysozyme L99A with n-Pentylbenzene 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 | 2009-06-30 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.116 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 60.690, 60.690, 97.140 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.226 - 1.800 |
R-factor | 0.1624 |
Rwork | 0.161 |
R-free | 0.18430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 181l |
RMSD bond length | 0.016 |
RMSD bond angle | 1.489 |
Data scaling software | XSCALE |
Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.910 | |
High resolution limit [Å] | 1.800 | 5.080 | 1.800 |
Rmerge | 0.084 | 0.034 | 0.481 |
Rmeas | 0.089 | 0.037 | 0.510 |
Total number of observations | 176887 | ||
Number of reflections | 23258 | 973 | 3186 |
<I/σ(I)> | 20.5 | 43.46 | 5.86 |
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 20% (w/v) PEGF-4000, 10% 2-propanol, 0.1 M HEPES, 50 mM 2-mercaptoethanol, 50 mM 2-hydroxyethyl disulfide |