3KL9
Crystal structure of PepA from Streptococcus pneumoniae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-06-18 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 138.296, 118.344, 160.299 |
| Unit cell angles | 90.00, 106.35, 90.00 |
Refinement procedure
| Resolution | 44.430 - 2.700 |
| R-factor | 0.203 |
| Rwork | 0.200 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vhe |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.238 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 5.810 | 2.700 |
| Rmerge | 0.104 | 0.044 | 0.390 |
| Total number of observations | 520491 | ||
| Number of reflections | 137138 | ||
| <I/σ(I)> | 11.4 | 2.4 | |
| Completeness [%] | 99.9 | 99.8 | 99.3 |
| Redundancy | 3.8 | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6.5 | 293 | 33 % PEG 8000, 20mM sodium cacodylate pH 6.5, 50mM ammonium sulfate, microbatch, temperature 293K |
