2IFR
Crystal structure of Scytalido-glutamic peptidase with a peptide based transition state analog
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-02-24 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.115869 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 108.780, 108.780, 114.650 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 1.950 |
R-factor | 0.204 |
Rwork | 0.204 |
R-free | 0.22200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1s2b |
RMSD bond length | 0.012 |
RMSD bond angle | 1.767 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Number of reflections | 28307 | |
Completeness [%] | 95.0 | 90.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 298 | 42% saturated ammonium sulfate, 10% (vol/vol) ethylene glycol and 0.1 M sodium acetate buffer, VAPOR DIFFUSION, HANGING DROP, temperature 298K |