2WKE
Crystal structure of the Actinomadura R39 DD-peptidase inhibited by 6- beta-iodopenicillanate.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-02-20 |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 103.981, 92.686, 107.133 |
Unit cell angles | 90.00, 95.03, 90.00 |
Refinement procedure
Resolution | 29.060 - 2.200 |
R-factor | 0.20862 |
Rwork | 0.206 |
R-free | 0.26136 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1w79 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.507 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.000 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.060 | 0.270 |
Number of reflections | 94213 | |
<I/σ(I)> | 13.6 | 2.9 |
Completeness [%] | 91.5 | 73 |
Redundancy | 3.1 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | pH 8 |