1Y1O
X-ray crystal Structure of Penicillin-binding protein-related factor A from Bacillus stearothermophilus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-10-30 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9794255 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 80.261, 81.018, 106.279 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.100 - 2.200 |
| R-factor | 0.1988 |
| Rwork | 0.197 |
| R-free | 0.24820 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.459 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.260 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.101 | 0.589 |
| Number of reflections | 35057 | |
| <I/σ(I)> | 17 | 1.42 |
| Completeness [%] | 97.2 | 62 |
| Redundancy | 6.6 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 294 | 1.3 M ammonium sulfate, 1% PEG 3350, 100 mM Bis-Tris, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
