2RBO
2-nitrothiophene in complex with T4 lysozyme L99A/M102Q
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-1 |
Synchrotron site | SSRL |
Beamline | BL9-1 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2006-12-06 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979462 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 60.107, 60.107, 96.715 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 52.060 - 1.290 |
R-factor | 0.17433 |
Rwork | 0.173 |
R-free | 0.19319 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1lgu |
RMSD bond length | 0.007 |
RMSD bond angle | 1.216 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | REFMAC |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.060 | 1.340 |
High resolution limit [Å] | 1.290 | 1.290 |
Rmerge | 0.067 | 0.622 |
Number of reflections | 51583 | |
<I/σ(I)> | 11.8 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 7.6 | 7.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 277 | 2.2M sodium-potassium phosphate, 0.05M beta-mercaptoethanol, 0.05M 2-hydroxyethyldisulfide, pH 7.1, vapor diffusion, hanging drop, temperature 277K |