3A3J
Crystal structures of penicillin binding protein 5 from Haemophilus influenzae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.115, 52.694, 201.489 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.320 - 2.150 |
R-factor | 0.21123 |
Rwork | 0.208 |
R-free | 0.26939 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.023 |
RMSD bond angle | 2.030 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.230 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.033 | 0.066 |
Number of reflections | 22901 | |
Completeness [%] | 92.3 | 78.3 |
Redundancy | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 80mM ammonium sulfate,15% (w/v) PEG 3550, VAPOR DIFFUSION, HANGING DROP, temperature 293K |