4B2C
Structure of the factor Xa-like trypsin variant triple-Ala (TPA) in complex with eglin C
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X12 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-03 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 79.210, 37.020, 103.960 |
| Unit cell angles | 90.00, 102.26, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.430 |
| R-factor | 0.15805 |
| Rwork | 0.158 |
| R-free | 0.18199 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 4B2A |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.978 |
| 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 | 1.520 |
| High resolution limit [Å] | 1.430 | 1.430 |
| Rmerge | 0.050 | 0.570 |
| Number of reflections | 99071 | |
| <I/σ(I)> | 16.7 | 2 |
| Completeness [%] | 90.0 | 56.3 |
| Redundancy | 4 | 4 |
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 |
