1PI5
Structure of N289A mutant of AmpC in complex with SM2, carboxyphenylglycylboronic acid bearing the cephalothin R1 side chain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 5ID-B |
Synchrotron site | APS |
Beamline | 5ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-12-01 |
Detector | MARRESEARCH |
Wavelength(s) | 1.0000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 119.050, 76.008, 97.595 |
Unit cell angles | 90.00, 115.54, 90.00 |
Refinement procedure
Resolution | 15.000 - 1.490 |
Rwork | 0.155 |
R-free | 0.16800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mxo |
RMSD bond length | 0.011 * |
RMSD bond angle | 1.610 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 1.540 |
High resolution limit [Å] | 1.490 | 1.490 |
Rmerge | 0.051 | 0.184 |
Total number of observations | 483237 * | |
Number of reflections | 128092 | 12767 * |
<I/σ(I)> | 23.8 | 7.6 |
Completeness [%] | 99.9 | 100 |
Redundancy | 3.8 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.7 | 295 | Potassium Phosphate Buffer , pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 295K |