5KD5
BT_4244 metallopeptidase from Bacteroides thetaiotaomicron
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-07-08 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97949 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 86.860, 88.440, 99.020 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.680 - 1.650 |
R-factor | 0.18763 |
Rwork | 0.186 |
R-free | 0.22067 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5kd2 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.647 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.680 | 1.680 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.085 | 0.463 |
Number of reflections | 92144 | |
<I/σ(I)> | 13.8 | 2.1 |
Completeness [%] | 99.8 | 100 |
Redundancy | 9.5 | 9.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | PEG 3350, NaH2PO4, Tris-HCl pH 8.0 |