5ZI5
Crystal structure of Legionella pneumophila aminopeptidase A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2016-01-11 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 64.543, 101.447, 129.595 |
Unit cell angles | 90.00, 99.29, 90.00 |
Refinement procedure
Resolution | 33.050 - 2.600 |
R-factor | 0.2212 |
Rwork | 0.216 |
R-free | 0.30810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hpo |
RMSD bond length | 0.011 |
RMSD bond angle | 1.470 |
Data reduction software | DENZO (2.3.1) |
Data scaling software | SCALEPACK (2.2.0) |
Phasing software | MOLREP (11.4.05; 02.04.2016) |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 33.050 | 50.000 | 2.690 |
High resolution limit [Å] | 2.600 | 5.600 | 2.600 |
Rmerge | 0.104 | 0.051 | 0.552 |
Rmeas | 0.124 | 0.061 | 0.656 |
Rpim | 0.066 | 0.034 | 0.351 |
Number of reflections | 49943 | 4661 | 5058 |
<I/σ(I)> | 12.5 | 2.3 | |
Completeness [%] | 98.1 | 89.4 | 100 |
Redundancy | 3.5 | 3.3 | 3.4 |
CC(1/2) | 0.993 | 0.994 | 0.834 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 0.1M SPG, pH 6.0, 25 % PEG 1500 |