4FIM
Crystal Structure of C-lobe of Bovine lactoferrin Complexed with celecoxib acid at 1.80 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 | 2012-05-26 |
Detector | MARRESEARCH |
Wavelength(s) | 0.97 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 62.511, 49.817, 65.419 |
Unit cell angles | 90.00, 107.03, 90.00 |
Refinement procedure
Resolution | 62.550 - 1.800 |
R-factor | 0.16225 |
Rwork | 0.160 |
R-free | 0.21075 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ib0 |
RMSD bond length | 0.022 |
RMSD bond angle | 2.210 |
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] | 62.550 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 35925 | |
<I/σ(I)> | 23.2 | 2.3 |
Completeness [%] | 100.0 | 100 |
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 |