3U72
Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Isoniazid at 2.2 A Resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2011-09-22 |
Detector | MARRESEARCH |
Wavelength(s) | 0.97 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 62.400, 49.890, 65.200 |
Unit cell angles | 90.00, 107.14, 90.00 |
Refinement procedure
Resolution | 38.940 - 2.200 |
R-factor | 0.19567 |
Rwork | 0.194 |
R-free | 0.22996 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ib0 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.773 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.840 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 19581 | |
<I/σ(I)> | 6.4 | 3.4 |
Completeness [%] | 99.5 | 99.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.01M Znso4, 0.1M MES, 25% PEG, Monomethyl Ether 550 , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |