5W90
FEZ-1 metallo-beta-lactamase from Legionella gormanii modelled with unknown ligand
Replaces: 1JT1Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-04-29 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.282760, 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 82.120, 76.775, 44.841 |
Unit cell angles | 90.00, 110.21, 90.00 |
Refinement procedure
Resolution | 38.080 - 1.780 |
R-factor | 0.1161 |
Rwork | 0.112 |
R-free | 0.15490 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1jt1 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.544 |
Data reduction software | DENZO |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.260 | 1.880 |
High resolution limit [Å] | 1.780 | 1.780 |
Rmerge | 0.045 | 0.097 |
Number of reflections | 45143 | 2235 |
<I/σ(I)> | 14.3 | 8.4 |
Completeness [%] | 92.4 | 61 |
Redundancy | 3.2 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293.15 | 18% PEG MME5000, 0.2M ammonium sulfate, 0.1M HEPES 7.0, 0.010MM Zn chloride, 0.0108MM D-CAPTOPRIL, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K |