1WRM
Crystal structure of JSP-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL24XU |
| Synchrotron site | SPring-8 |
| Beamline | BL24XU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-10-21 |
| Detector | RIGAKU RAXIS V |
| Wavelength(s) | 0.83565 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 84.027, 49.320, 47.330 |
| Unit cell angles | 90.00, 119.51, 90.00 |
Refinement procedure
| Resolution | 40.890 - 1.500 |
| Rwork | 0.251 |
| R-free | 0.28200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNX (2002) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.052 | 0.261 |
| Number of reflections | 24754 | |
| <I/σ(I)> | 37.8 | 4.1 |
| Completeness [%] | 91.2 | 83.9 |
| Redundancy | 3.3 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.8 | 278 | PEG4000, magnesium chloride, MES-NaOH, pH 6.8, VAPOR DIFFUSION, temperature 278K |
