1KCZ
Crystal Structure of beta-methylaspartase from Clostridium tetanomorphum. Mg-complex.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-09-17 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.016, 108.783, 109.557 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 76.700 - 1.900 |
| R-factor | 0.13699 |
| Rwork | 0.135 |
| R-free | 0.17459 |
| Structure solution method | SAD |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.743 |
| 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] | 55.050 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.114 | 0.264 |
| Total number of observations | 731140 * | |
| Number of reflections | 63452 | |
| <I/σ(I)> | 9 | 4.3 |
| Completeness [%] | 99.6 | 95.1 |
| Redundancy | 11.5 * | 9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 292 | Tris-HCl, NaCl, ethylene glycol, PEG 6000, 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 (%) |
