4W56
T4 Lysozyme L99A with sec-Butylbenzene 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 | 2009-07-23 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.116 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 60.360, 60.360, 96.820 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.997 - 1.630 |
R-factor | 0.1716 |
Rwork | 0.171 |
R-free | 0.18770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 181l |
RMSD bond length | 0.007 |
RMSD bond angle | 0.993 |
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 | 1.730 | |
High resolution limit [Å] | 1.630 | 10.000 | 1.630 |
Rmerge | 0.065 | 0.027 | 0.477 |
Rmeas | 0.069 | 0.030 | 0.506 |
Total number of observations | 226096 | ||
Number of reflections | 30214 | 129 | 4174 |
<I/σ(I)> | 22.09 | 44.38 | 5.34 |
Completeness [%] | 99.9 | 89.6 | 100 |
Redundancy | 8.7 |
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 |