2AUM
Active site Ser115Ala mutant of LD-carboxypeptidase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-02-15 |
Detector | MARRESEARCH |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.455, 77.843, 71.154 |
Unit cell angles | 90.00, 104.53, 90.00 |
Refinement procedure
Resolution | 15.000 - 2.400 |
R-factor | 0.24224 |
Rwork | 0.242 |
R-free | 0.24723 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zrs |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 2.430 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.103 | 0.226 |
Number of reflections | 21396 | |
<I/σ(I)> | 8.2 | 3.6 |
Completeness [%] | 98.6 | 96.4 |
Redundancy | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 294 | citric acid , pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K |