2A31
Trypsin in complex with borate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2003-01-01 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 76.304, 53.446, 46.466 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.900 - 1.250 |
Rwork | 0.140 |
R-free | 0.16200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1s5s |
RMSD bond length | 0.007 |
RMSD bond angle | 1.910 |
Data reduction software | DENZO (HKL2000) |
Data scaling software | SCALEPACK (HKL2000) |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.900 | 1.290 |
High resolution limit [Å] | 1.250 | 1.250 |
Rmerge | 0.088 | 0.295 |
Total number of observations | 3722 | |
Number of reflections | 47257 | |
<I/σ(I)> | 4.7 | |
Completeness [%] | 88.6 | 96 |
Redundancy | 12.3 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 300 | MgSO4, HEPES, CaCl2, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 300K |