4BJQ
Crystal structure of E. coli penicillin binding protein 3, domain V88- S165
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-09-30 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 1 |
Unit cell lengths | 56.048, 55.959, 82.285 |
Unit cell angles | 89.13, 76.49, 65.99 |
Refinement procedure
Resolution | 35.700 - 2.100 |
R-factor | 0.21099 |
Rwork | 0.208 |
R-free | 0.26252 |
Structure solution method | SAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.010 |
RMSD bond angle | 1.195 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.000 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.080 | 0.510 |
Number of reflections | 45669 | |
<I/σ(I)> | 10.2 | 2.5 |
Completeness [%] | 88.5 | 95.4 |
Redundancy | 3.7 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |