5DYN
B. fragilis cysteine protease
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-02-02 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9787 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 124.320, 48.900, 60.880 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.430 - 2.480 |
R-factor | 0.1775 |
Rwork | 0.175 |
R-free | 0.22250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3uws |
RMSD bond length | 0.003 |
RMSD bond angle | 0.690 |
Data reduction software | xia2 |
Data scaling software | XDS |
Phasing software | PHENIX (1.9_1692) |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.430 | 2.570 |
High resolution limit [Å] | 2.480 | 2.480 |
Rmerge | 0.130 | 0.800 |
Number of reflections | 13750 | |
<I/σ(I)> | 14.88 | 2.58 |
Completeness [%] | 99.9 | 100 |
Redundancy | 7.22 | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 292 | 200 mM Ammonium Citrate Dibasic (pH 5), 25% (w/v) pEG3350 |