4B2A
Structure of the factor Xa-like trypsin variant triple-Ala (TGA) in complex with eglin C
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-16 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.800, 35.110, 105.390 |
| Unit cell angles | 90.00, 104.26, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.890 |
| R-factor | 0.2045 |
| Rwork | 0.203 |
| R-free | 0.25898 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 1V2L 1acb |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.899 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.010 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.090 | 0.820 |
| Number of reflections | 44709 | |
| <I/σ(I)> | 12.9 | 2 |
| Completeness [%] | 98.6 | 92.1 |
| Redundancy | 5.5 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 283 | 18% (W/V) PEG 10,000, 20% (V/V) GLYCEROL, 100 MM TRIS-HCL PH 8.5 AND 100 MM NACL AT 283 K |
