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 (%) |