4B2B
Structure of the factor Xa-like trypsin variant triple-Ala (TGPA) 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 | 2008-07-23 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.340, 36.940, 103.020 |
| Unit cell angles | 90.00, 103.41, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.360 |
| R-factor | 0.18351 |
| Rwork | 0.183 |
| R-free | 0.20367 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 4B2A |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.020 |
| 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 | 1.430 |
| High resolution limit [Å] | 1.360 | 1.360 |
| Rmerge | 0.070 | 0.650 |
| Number of reflections | 123592 | |
| <I/σ(I)> | 13 | 2 |
| Completeness [%] | 99.6 | 99.9 |
| Redundancy | 3.7 | 3.7 |
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 9.0 AND 100 MM NACL AT 283 K |
