5DF9
CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 IN COMPLEX WITH DEACYLATED PRODUCT OF CEFOPERAZONE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-01-24 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97960 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 176.884, 41.264, 87.786 |
Unit cell angles | 90.00, 117.42, 90.00 |
Refinement procedure
Resolution | 29.970 - 2.700 |
R-factor | 0.2046 |
Rwork | 0.202 |
R-free | 0.24927 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5df8 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.903 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.092 | 0.722 |
Number of reflections | 15866 | |
<I/σ(I)> | 14.5 | 1.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 294 | 1.26 M (NH4)2SO4; 0.1 M CHES pH 9.5; 0.2 M NaCl |