1J2L
Crystal structure of the disintegrin, trimestatin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-6A |
Synchrotron site | Photon Factory |
Beamline | BL-6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-05-11 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.00 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 47.546, 48.119, 37.667 |
Unit cell angles | 90.00, 126.80, 90.00 |
Refinement procedure
Resolution | 30.000 * - 1.700 |
R-factor | 0.187 |
Rwork | 0.187 |
R-free | 0.22900 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fvl |
RMSD bond length | 0.004 |
RMSD bond angle | 24.200 * |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.056 * | 0.242 * |
Total number of observations | 52379 * | |
Number of reflections | 7539 * | 1092 * |
<I/σ(I)> | 8.4 | 2.9 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 6.9 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Microdialysis * | 7 | 293 | PEG 8000, ammonium sulfate, pH 7.0, VAPOR DIFFUSION, temperature 293K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | protein | 30.0 (mg/ml) | |
2 | 1 | 2 | PEG8000 | 30 (%(w/v)) | |
3 | 1 | 2 | ammonium sulfate | 0.1 (M) |