1PI4
Structure of N289A mutant of AmpC in complex with SM3, a phenylglyclboronic 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 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 118.628, 76.104, 97.836 |
Unit cell angles | 90.00, 115.61, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.390 |
Rwork | 0.159 |
R-free | 0.17300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mxo |
RMSD bond length | 0.013 |
RMSD bond angle | 1.710 * |
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] | 20.000 | 1.440 |
High resolution limit [Å] | 1.390 | 1.390 |
Rmerge | 0.058 | 0.134 |
Total number of observations | 903131 * | |
Number of reflections | 156947 | 15495 * |
<I/σ(I)> | 29 | 10.4 |
Completeness [%] | 99.4 | 98.3 |
Redundancy | 5.8 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.7 | 23 * | used microseeding * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | potassium phosphate | 1.7 (M) | pH8.7 |
2 | 1 | drop | protein | 3.8 (mg/ml) | |
3 | 1 | drop | DMSO | 1.2 (%) | |
4 | 1 | drop | potassium phosphate | 1 (M) | pH8.7 |