4EKQ
T4 Lysozyme L99A/M102H with 4-Nitrophenol 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 | 48.210, 76.070, 52.810 |
Unit cell angles | 90.00, 93.01, 90.00 |
Refinement procedure
Resolution | 48.143 - 1.540 |
R-factor | 0.1763 |
Rwork | 0.175 |
R-free | 0.20410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4e97 |
RMSD bond length | 0.021 |
RMSD bond angle | 1.775 |
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 | 1.620 |
High resolution limit [Å] | 1.540 | 4.870 | 1.540 |
Rmerge | 0.043 | 0.020 | 0.337 |
Number of reflections | 52590 | 1536 | 7600 |
<I/σ(I)> | 15.77 | 46.09 | 3.11 |
Completeness [%] | 93.4 | 84.1 | 96.3 |
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 |