4B1T
Structure of the factor Xa-like trypsin variant triple-Ala (TA) 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 | 78.330, 36.880, 103.970 |
Unit cell angles | 90.00, 103.27, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.780 |
R-factor | 0.18453 |
Rwork | 0.184 |
R-free | 0.21906 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ENTRIES 4B2A |
RMSD bond length | 0.018 |
RMSD bond angle | 1.879 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.890 |
High resolution limit [Å] | 1.780 | 1.780 |
Rmerge | 0.070 | 0.720 |
Number of reflections | 55837 | |
<I/σ(I)> | 14.9 | 2 |
Completeness [%] | 98.8 | 97.9 |
Redundancy | 4.1 |
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 |