4EKS
T4 Lysozyme L99A/M102H with Isoxazole 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 | 2010-11-22 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.116 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.300, 75.370, 52.650 |
Unit cell angles | 90.00, 93.15, 90.00 |
Refinement procedure
Resolution | 48.227 - 1.640 |
R-factor | 0.1724 |
Rwork | 0.171 |
R-free | 0.19800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4e97 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.205 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX (1.7.1_743) |
Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.730 |
High resolution limit [Å] | 1.640 | 5.190 | 1.640 |
Rmerge | 0.052 | 0.020 | 0.313 |
Number of reflections | 43970 | ||
<I/σ(I)> | 14.23 | 39.98 | 3.04 |
Completeness [%] | 95.2 | 87.4 | 97.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 277 | 30% (w/v) PEG-6000, 0.3 M LiSO4, 3% (w/v) TMAO, 50 mM 2-mercaptoethanol, 50 mM 2-hydroxyethyl disulfide, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |