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 |