5SV5
1.0 Angstrom Crystal Structure of pre-Peptidase C-terminal Domain of Collagenase from Bacillus anthracis.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-08-02 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 33.533, 37.764, 42.810 |
Unit cell angles | 90.00, 106.95, 90.00 |
Refinement procedure
Resolution | 29.820 - 1.000 |
R-factor | 0.13335 |
Rwork | 0.133 |
R-free | 0.14813 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.453 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.020 |
High resolution limit [Å] | 1.000 | 1.000 |
Rmerge | 0.080 | 0.726 |
Number of reflections | 55101 | |
<I/σ(I)> | 44.5 | 2.7 |
Completeness [%] | 99.5 | 97.7 |
Redundancy | 6.8 | 4.3 |
CC(1/2) | 0.818 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 292 | Protein: 16.0 mg/ml, 0.5M Sodium chloride, 0.01M Tris-HCL (pH 8.3); Screen: Classics II (C9), 1.1M Sodium malonate, 0.1M HEPES (pH 7.0), 0.5% (v/v) Jeffamine ED-2001; Cryo: 4M Sodium formate |