3R6Y
Crystal structure of chymotrypsin-treated aspartase from Bacillus sp. YM55-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-07-27 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9330 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 70.310, 168.940, 149.080 |
Unit cell angles | 90.00, 92.23, 90.00 |
Refinement procedure
Resolution | 40.000 - 3.000 |
R-factor | 0.2425 |
Rwork | 0.240 |
R-free | 0.29660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1j3u |
RMSD bond length | 0.008 |
RMSD bond angle | 0.956 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.25) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 149.071 | 41.310 | 3.160 |
High resolution limit [Å] | 3.000 | 9.490 | 3.000 |
Rmerge | 0.089 | 0.053 | 0.399 |
Total number of observations | 4185 | 21000 | |
Number of reflections | 68562 | ||
<I/σ(I)> | 9.5 | 6.8 | 1.6 |
Completeness [%] | 98.7 | 96.9 | 98.4 |
Redundancy | 2.1 | 1.9 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.2 M calcium acetate, 0.1 M HEPES, pH 7.5, 40% PEG400, vapor diffusion, hanging drop, temperature 298K |