3R6Q
A triclinic-lattice structure of aspartase from Bacillus sp. YM55-1
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 | 2009-09-25 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9334 |
| Spacegroup name | P 1 |
| Unit cell lengths | 75.594, 118.194, 140.226 |
| Unit cell angles | 89.85, 89.59, 76.51 |
Refinement procedure
| Resolution | 39.560 - 2.400 |
| R-factor | 0.2014 |
| Rwork | 0.199 |
| R-free | 0.25280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1j3u |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.211 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.9) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 140.222 | 48.234 | 2.530 |
| High resolution limit [Å] | 2.400 | 7.590 | 2.400 |
| Rmerge | 0.020 | 0.246 | |
| Total number of observations | 8710 | 40425 | |
| Number of reflections | 161833 | ||
| <I/σ(I)> | 10.2 | 22.6 | 3.1 |
| Completeness [%] | 87.6 | 80.5 | 89.9 |
| Redundancy | 1.7 | 1.9 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 0.25 M NaSCN, 10 mM CaCl2, 0.1 M HEPES, pH 7.0, 20% PEG3350, vapor diffusion, hanging drop, temperature 277K |
