3HOL
The Structure of Intact Ap-TbpB (N and C lobes)
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 | 2008-08-13 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97625 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 35.360, 96.807, 143.298 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.600 - 1.980 |
R-factor | 0.18744 |
Rwork | 0.185 |
R-free | 0.23142 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hoe |
RMSD bond length | 0.016 |
RMSD bond angle | 1.462 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP (CCP4) |
Refinement software | REFMAC (5.5.0044) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.600 | 2.050 |
High resolution limit [Å] | 1.980 | 1.980 |
Rmerge | 0.331 | |
Number of reflections | 33311 | |
<I/σ(I)> | 24.3 | 4.9 |
Completeness [%] | 98.6 | 86.7 |
Redundancy | 6.7 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 20% PEG3350, 0.1M Tris pH 8.0, 150 mM NaCl, VAPOR DIFFUSION, SITTING DROP, temperature 298K |