2I6S
Complement component C2a
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-04-18 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9393 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.160, 75.080, 71.560 |
Unit cell angles | 90.00, 110.32, 90.00 |
Refinement procedure
Resolution | 37.500 - 2.700 |
Rwork | 0.212 |
R-free | 0.28700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB Entries: 1DLE (SP-domain) and 1Q0P (VWA-domain) |
RMSD bond length | 0.004 |
RMSD bond angle | 0.670 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.540 | 2.850 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.085 | 0.420 |
Total number of observations | 5710 | |
Number of reflections | 13881 | |
<I/σ(I)> | 7.4 | 1.8 |
Completeness [%] | 98.5 | 90.4 |
Redundancy | 3.6 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | hanging drop vapor diffusion | 7 | 293 | 35% PEG 1000, 0.025 M sodium malonate, 0.0375 M imidazole, 0.0375 M boric acid, 20 mM LiCl, pH 7.0, hanging drop vapor diffusion, temperature 293K |