1O86
Crystal Structure of Human Angiotensin Converting Enzyme in complex with lisinopril.
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-10-06 |
Detector | MARRESEARCH |
Wavelength(s) | 0.9537,1.2825,1.2832 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.470, 84.900, 133.990 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.140 - 2.000 |
R-factor | 0.18 |
Rwork | 0.180 |
R-free | 0.21880 * |
Structure solution method | MAD |
RMSD bond length | 0.005 * |
RMSD bond angle | 1.200 * |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CCP4 |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.080 |
High resolution limit [Å] | 2.000 | 2.010 |
Rmerge | 0.058 | 0.238 |
Number of reflections | 79319 | |
<I/σ(I)> | 11.6 | 2 |
Completeness [%] | 95.9 | 72.1 |
Redundancy | 2 | 1.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 4.7 | 16 * | PEG4000/SODIUM ACETATE., PH 4.70 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | HEPES | 10 (mM) | |
2 | 1 | drop | PMSF | 0.1 (%) | |
3 | 1 | reservoir | PEG4000 | 15 (%) | |
4 | 1 | reservoir | sodium acetate trihydrate | 50 (mM) | pH4.7 |
5 | 1 | reservoir | 10000 (nM) |