2W5P
DraE Adhesin in complex with Chloramphenicol Succinate (monoclinic form)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-3 |
Synchrotron site | ESRF |
Beamline | ID14-3 |
Temperature [K] | 120 |
Detector technology | CCD |
Collection date | 2004-12-05 |
Detector | ADSC CCD |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 118.941, 68.553, 62.061 |
Unit cell angles | 90.00, 111.17, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.900 |
R-factor | 0.195 |
Rwork | 0.193 |
R-free | 0.23700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1usq |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | BUSTER-TNT |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.000 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.100 | 0.380 |
Number of reflections | 34784 | |
<I/σ(I)> | 6 | 2 |
Completeness [%] | 96.8 | 78 |
Redundancy | 4.1 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | (NH4)2SO4 2M, 10 MM CHLORAMPHENICOL SUCCINATE, 0.1 M NAHEPES PH 7.0 |