3H3E
Crystal structure of Tm1679, A METAL-DEPENDENT HYDROLASE OF THE BETA-LACTAMASE SUPERFAMILY
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-04 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97910 |
| Spacegroup name | P 61 |
| Unit cell lengths | 127.169, 127.169, 41.044 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.226 - 2.749 |
| R-factor | 0.151 |
| Rwork | 0.151 |
| R-free | 0.20700 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.097 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE (2.13) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.850 |
| High resolution limit [Å] | 2.749 | 2.750 |
| Rmerge | 0.169 | 0.564 |
| Number of reflections | 10088 | |
| <I/σ(I)> | 18.18 | 3.1 |
| Completeness [%] | 99.4 | 98.5 |
| Redundancy | 13.4 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.3 | 298 | Crystallization drop was 1:1 mixture of protein and 12% PEG 3000, 100 mM Sodium Citrate pH 5.3. The crystallization reservoir was 60 ul of 1.5 M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
