4I7P
T4 Lysozyme L99A/M102H with 4-bromoimidazole 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 | 2010-12-09 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.116 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.370, 75.400, 52.700 |
Unit cell angles | 90.00, 93.32, 90.00 |
Refinement procedure
Resolution | 48.289 - 1.600 |
R-factor | 0.1804 |
Rwork | 0.179 |
R-free | 0.20420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4e97 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.396 |
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] | 48.289 | 48.289 | 1.690 |
High resolution limit [Å] | 1.600 | 10.000 | 1.600 |
Rmerge | 0.066 | 0.029 | 0.365 |
Number of reflections | 48062 | 175 | 7353 |
<I/σ(I)> | 11.96 | 32.35 | 3.1 |
Completeness [%] | 95.9 | 79.5 | 98.3 |
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 |