2Y2Q
PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (Z06)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-04-25 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 96.152, 101.806, 145.370 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.640 - 2.150 |
R-factor | 0.20592 |
Rwork | 0.203 |
R-free | 0.26193 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bg1 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.050 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0095) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.600 | 2.280 |
High resolution limit [Å] | 2.150 | 2.150 |
Number of reflections | 76653 | |
<I/σ(I)> | 30.92 | 2.97 |
Completeness [%] | 81.1 | 53.2 |
Redundancy | 4.6 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.4 | 50MM HEPES PH 7.2, 3M NACL, 0.6-0.9M AMMONIUM SULFATE |