2VGK
Crystal structure of Actinomadura R39 DD-peptidase complexed with a peptidoglycan-mimetic cephalosporin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-12-01 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 105.140, 93.350, 109.100 |
Unit cell angles | 90.00, 94.98, 90.00 |
Refinement procedure
Resolution | 15.710 - 2.250 |
R-factor | 0.233 |
Rwork | 0.230 |
R-free | 0.28600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1w79 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.279 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.370 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.170 | 0.710 |
Number of reflections | 99513 | |
<I/σ(I)> | 9.7 | 2.3 |
Completeness [%] | 99.1 | 94.9 |
Redundancy | 3.7 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | pH 8 |