5YQ2
Crystal structure of E.coli aminopeptidase N in complex with Puromycin aminonucleoside
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 | 2016-10-03 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 120.223, 120.223, 170.124 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 1.600 |
R-factor | 0.1579 |
Rwork | 0.157 |
R-free | 0.17890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hpo |
RMSD bond length | 0.028 |
RMSD bond angle | 2.509 |
Data reduction software | HKL-2000 |
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 | 1.660 |
High resolution limit [Å] | 1.600 | 3.450 | 1.600 |
Rmerge | 0.044 | 0.030 | 0.324 |
Rmeas | 0.049 | 0.034 | 0.358 |
Rpim | 0.021 | 0.015 | 0.152 |
Total number of observations | 1040498 | ||
Number of reflections | 186872 | 19224 | 18535 |
<I/σ(I)> | 19.6 | ||
Completeness [%] | 99.9 | 99.5 | 100 |
Redundancy | 5.6 | 5 | 5.4 |
CC(1/2) | 0.998 | 0.940 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 2.0M Sodium malonate |