5YQ1
Crystal structure of E.coli aminopeptidase N in complex with O-Methyl-L-tyrosine
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 | 2016-12-08 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 120.413, 120.413, 169.775 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 1.580 |
R-factor | 0.1652 |
Rwork | 0.164 |
R-free | 0.18220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hpo |
RMSD bond length | 0.025 |
RMSD bond angle | 2.383 |
Data reduction software | HKL-2000 (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] | 50.000 | 50.000 | 1.640 |
High resolution limit [Å] | 1.580 | 3.400 | 1.580 |
Rmerge | 0.068 | 0.041 | 0.729 |
Rmeas | 0.078 | 0.049 | 0.836 |
Rpim | 0.038 | 0.025 | 0.402 |
Number of reflections | 192304 | 18584 | 19203 |
<I/σ(I)> | 12.9 | 2.13 | |
Completeness [%] | 99.1 | 92.6 | 99.9 |
Redundancy | 4.1 | 3.3 | 4 |
CC(1/2) | 0.997 | 0.996 | 0.660 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 2.0M Sodium malonate |