2ZQC
Aztreonam acyl-intermediate structure of class a beta-lactam Toho-1 E166A/R274N/R276N triple mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B2 |
Synchrotron site | SPring-8 |
Beamline | BL26B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-01-28 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.7 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 72.293, 72.293, 97.578 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 1.070 |
R-factor | 0.13424 |
Rwork | 0.134 |
R-free | 0.14643 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2zq7 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.496 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.090 |
High resolution limit [Å] | 1.070 | 1.070 |
Rmerge | 0.077 | 0.313 |
Number of reflections | 129890 | |
<I/σ(I)> | 19.1 | 5.16 |
Completeness [%] | 99.9 | 98.3 |
Redundancy | 10.4 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 1.95-2.10M ammonium sulfate, 0.2M sodium citrate, PH5.50, VAPOR DIFFUSION, HANGING DROP, temperature 298K |