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 |