2WHZ
Dipeptide Inhibitors of Thermolysin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU RAXIS IV |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 92.890, 92.890, 127.740 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 1.750 |
R-factor | 0.16136 |
Rwork | 0.159 |
R-free | 0.19730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2tlx |
RMSD bond length | 0.015 |
RMSD bond angle | 1.442 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | REFMAC (5.3.0021) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.840 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.090 | 0.370 |
Number of reflections | 33351 | |
<I/σ(I)> | 14.9 | 5 |
Completeness [%] | 99.8 | 99.3 |
Redundancy | 7.3 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |