2AUN
Active site His285Ala 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 | 2005-04-11 |
Detector | MARRESEARCH |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.430, 78.012, 71.257 |
Unit cell angles | 90.00, 104.19, 90.00 |
Refinement procedure
Resolution | 15.000 - 2.400 |
R-factor | 0.215 |
Rwork | 0.213 |
R-free | 0.24500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zrs |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 2.430 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.137 | 0.363 |
Number of reflections | 21640 | |
<I/σ(I)> | 7.8 | 3.2 |
Completeness [%] | 99.3 | 99.2 |
Redundancy | 3.1 |
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 |