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 |