3T28
TMAO-grown trypsin (bovine)-previously unreported tetragonal crystal form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | OXFORD DIFFRACTION NOVA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-14 |
Detector | OXFORD ONYX CCD |
Wavelength(s) | 1.54 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 53.927, 53.927, 181.905 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.150 - 2.800 |
R-factor | 0.18469 |
Rwork | 0.182 |
R-free | 0.24788 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.695 |
Data reduction software | CrysalisPro |
Data scaling software | SCALA (3.3.16) |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 51.700 | 20.148 | 2.950 |
High resolution limit [Å] | 2.800 | 8.850 | 2.800 |
Rmerge | 0.037 | 0.286 | |
Number of reflections | 7217 | ||
<I/σ(I)> | 20 | 17 | 2.6 |
Completeness [%] | 99.7 | 91.7 | 100 |
Redundancy | 10 | 7.3 | 10.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 40 mg/mL protein in 50 mM benzamidine, 3.75 M TMAO, 0.2 M AmSO4, 0.1 M MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |