4JID
Crystal structure of BaLdcB / VanY-like L,D-carboxypeptidase Zinc(II)-free
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-02-16 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 76.576, 112.996, 124.659 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.710 - 2.300 |
| R-factor | 0.19442 |
| Rwork | 0.191 |
| R-free | 0.25873 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4f78 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.364 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.093 | 0.542 |
| Number of reflections | 24059 | |
| <I/σ(I)> | 13.5 | 2.4 |
| Completeness [%] | 98.3 | 94.3 |
| Redundancy | 4.2 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | Protein: 2.3mg/mL, 0.3M Sodium cloride, 0.1M 0.1M HEPES pH 7.5; Screen: 0.1M HEPES pH 7.0, 30% Jeffamine ED-2001; Cryo: paraton., VAPOR DIFFUSION, HANGING DROP, temperature 295K |
