1JFL
CRYSTAL STRUCTURE DETERMINATION OF ASPARTATE RACEMASE FROM AN ARCHAEA
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 | 2000-05-18 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 65.481, 58.685, 67.035 |
Unit cell angles | 90.00, 109.62, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.900 |
R-factor | 0.194 * |
Rwork | 0.194 |
R-free | 0.22200 |
Structure solution method | MIR |
RMSD bond length | 0.005 |
RMSD bond angle | 1.250 * |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MLPHARE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 * | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.065 | 0.176 |
Total number of observations | 191528 * | |
Number of reflections | 37256 | |
<I/σ(I)> | 8.9 | 4.6 |
Completeness [%] | 98.2 | 99.2 * |
Redundancy | 5.1 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 293 * | Liu, L., (2001) Acta Crystallogr., D57, 1674. * |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 293 * | Liu, L., (2001) Acta Crystallogr., D57, 1674. * |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 293 * | Liu, L., (2001) Acta Crystallogr., D57, 1674. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG6000 | 16.5 (%(w/v)) | |
2 | 1 | reservoir | sodium citrate | 0.10 (M) | pH4.0 |
3 | 1 | drop | protein | 30 (mg/ml) |