1KD0
Crystal Structure of beta-methylaspartase from Clostridium tetanomorphum. Apo-structure.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-06-12 |
Detector | MARRESEARCH |
Wavelength(s) | 0.946439 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.281, 109.260, 108.991 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.740 - 1.900 |
R-factor | 0.178 |
Rwork | 0.175 |
R-free | 0.22300 * |
Structure solution method | SAD |
RMSD bond length | 0.031 |
RMSD bond angle | 2.052 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | SnB |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.860 | 1.950 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.094 | 0.398 |
Total number of observations | 249409 * | |
Number of reflections | 63750 | |
<I/σ(I)> | 6.1 | 0.019 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 3.9 * | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 292 | Tris-HCl, NaCl, PEG6000, ethylene glycol, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 292K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG6000 | 20-25 (%(w/v)) | |
2 | 1 | reservoir | sodium acetate | 100 (mM) | pH7.0 |
3 | 1 | reservoir | Tris-HCl | 25 (mM) | pH7.0 |
4 | 1 | reservoir | ethylene glycol | 16-22 (%) |