2ODY
Thrombin-bound boophilin displays a functional and accessible reactive-site loop
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-07-11 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.93100 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 92.500, 104.200, 129.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.190 - 2.350 |
| R-factor | 0.19235 |
| Rwork | 0.190 |
| R-free | 0.22995 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mkx |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.137 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.900 | 2.480 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.064 | 0.290 |
| Number of reflections | 51554 | |
| <I/σ(I)> | 9.5 | 2.6 |
| Completeness [%] | 98.0 | 97.4 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 279 | 18% PEG 8000, 0.05M Potassium phosphate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 279K |
