4C3F
Structure of Lck in complex with a compound discovered by Virtual Fragment Linking
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-10-14 |
| Detector | RIGAKU CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.088, 44.596, 120.254 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.780 - 1.720 |
| R-factor | 0.17953 |
| Rwork | 0.177 |
| R-free | 0.21960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mpm |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.665 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.810 | 1.770 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.030 | 0.240 |
| Number of reflections | 30169 | |
| <I/σ(I)> | 32.51 | 4.38 |
| Completeness [%] | 88.7 | 46.3 |
| Redundancy | 6.3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 277 | 16 % PEG 8000, 0.1 M NA CACODYLATE PH 6.5, 0.2 M MG ACETATE, 4 C |
