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 |