5MFT
The crystal structure of E. coli Aminopeptidase N in complex with 7-amino-1-bromo-4-phenyl-5,7,8,9-tetrahydrobenzocyclohepten-6-one
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-09 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 120.651, 120.651, 170.676 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 60.325 - 1.590 |
R-factor | 0.1112 |
Rwork | 0.111 |
R-free | 0.13900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3b34 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.121 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.27) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 89.110 | 89.110 | 1.620 |
High resolution limit [Å] | 1.590 | 8.710 | 1.590 |
Rmerge | 0.142 | 0.023 | 1.895 |
Number of reflections | 192106 | ||
<I/σ(I)> | 14.8 | ||
Completeness [%] | 99.9 | 99.9 | 97.6 |
Redundancy | 10.9 | 10 | 7.5 |
CC(1/2) | 0.999 | 1.000 | 0.316 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 1.8M Sodium malonate |