4MJS
crystal structure of a PB1 complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97892 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 85.715, 135.681, 259.559 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.534 - 2.500 |
| R-factor | 0.2402 |
| Rwork | 0.238 |
| R-free | 0.28710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wmh |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.086 | 0.519 |
| Number of reflections | 105401 | |
| <I/σ(I)> | 22.6 | 4.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.3 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 294 | 0.1M Tris-HCl, 8% PEG8000, 0.4M MgCl2, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
