3GCD
Structure of the V. cholerae RTX cysteine protease domain in complex with an aza-Leucine peptide inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 140 |
Detector technology | CCD |
Collection date | 2008-03-06 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.560, 65.854, 254.880 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.350 |
R-factor | 0.22064 |
Rwork | 0.218 |
R-free | 0.26499 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ID 3EEB |
RMSD bond length | 0.010 |
RMSD bond angle | 1.303 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.430 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.099 | 0.454 |
Number of reflections | 31246 | |
<I/σ(I)> | 13.6 | 2.3 |
Completeness [%] | 89.0 | 61.4 |
Redundancy | 4.4 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 295 | 30%PEG3350, 15% MPD, 0.1M Tris-HCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |