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 |