2RBN
N-phenylglycinonitrile 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 | 2006-12-08 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979462 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 60.131, 60.131, 96.886 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 52.060 - 1.290 |
R-factor | 0.179 |
Rwork | 0.178 |
R-free | 0.19100 |
Starting model (for MR) | 1lgu |
RMSD bond length | 0.006 |
RMSD bond angle | 1.071 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | REFMAC |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 52.060 | 50.000 | 1.340 |
High resolution limit [Å] | 1.290 | 2.780 | 1.290 |
Rmerge | 0.080 | 0.053 | 0.569 |
Number of reflections | 51136 | ||
<I/σ(I)> | 10 | ||
Completeness [%] | 98.8 | 95.4 | 100 |
Redundancy | 6.6 | 6.4 | 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 |