4YJR
SYK kinase domain in complex with inhibitor GTC000225
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-04-28 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.430, 86.630, 40.270 |
| Unit cell angles | 90.00, 93.49, 90.00 |
Refinement procedure
| Resolution | 29.000 - 1.320 |
| R-factor | 0.1568 |
| Rwork | 0.155 |
| R-free | 0.18010 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | In-house SYK model |
| Data reduction software | MOSFLM (6.2.4) |
| Data scaling software | SCALA (3.2.5) |
| Refinement software | BUSTER (2.11.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.128 | 29.463 | 1.320 |
| High resolution limit [Å] | 1.250 | 3.950 | 1.250 |
| Rmerge | 0.049 | 0.031 | 0.485 |
| Total number of observations | 267412 | 8275 | 35693 |
| Number of reflections | 74248 | ||
| <I/σ(I)> | 13.8 | 36.3 | 2.3 |
| Completeness [%] | 99.8 | 98.7 | 98.8 |
| Redundancy | 3.6 | 3.5 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 30% Jeffamine ED-2001, 10% Glycerol, 0.1M MES pH6.0, 5mM TCEP |
