3RKP
Crystal structure of BcpA*(D312A), the major pilin subunit of Bacillus cereus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-12-20 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.862, 68.096, 97.251 |
| Unit cell angles | 90.00, 107.73, 90.00 |
Refinement procedure
| Resolution | 38.781 - 2.243 |
| R-factor | 0.2127 |
| Rwork | 0.210 |
| R-free | 0.25470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kpt |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.579 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.240 | 2.240 |
| Rmerge | 0.065 | 0.305 |
| Number of reflections | 39085 | |
| <I/σ(I)> | 16.96 | 2.68 |
| Completeness [%] | 94.5 | 61.3 |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.7 | 298 | 0.1M HEPES pH 7.5 20% PEG 10,000, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
