2RBQ
3-methylbenzylazide in complex with T4 L99A/M102Q
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Detector technology | IMAGE PLATE |
Collection date | 2007-04-17 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 60.362, 60.362, 97.368 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 52.270 - 1.633 |
R-factor | 0.209 |
Rwork | 0.208 |
R-free | 0.24000 |
Starting model (for MR) | 1lgu |
RMSD bond length | 0.013 |
RMSD bond angle | 1.283 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | REFMAC |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.270 | 1.690 |
High resolution limit [Å] | 1.633 | 1.633 |
Rmerge | 0.064 | 0.451 |
Number of reflections | 25336 | |
<I/σ(I)> | 12.8 | |
Completeness [%] | 96.8 | 93.2 |
Redundancy | 3.5 | 3.7 |
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 |