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 |