4C2D
Crystal structure of the protease CtpB in an active state
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 117.050, 65.375, 169.065 |
Unit cell angles | 90.00, 95.03, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.700 |
R-factor | 0.2271 |
Rwork | 0.227 |
R-free | 0.24130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4c2c |
RMSD bond length | 0.008 |
RMSD bond angle | 1.140 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.740 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.140 | 0.810 |
Number of reflections | 79111 | |
<I/σ(I)> | 12.6 | 2.1 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 6.8 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 13% PEG 3350, 0.1 M NA-MALONATE, 0.1 M HEPES PH 7.8 |