4BZS
Human angiotenisn converting enzyme N-domain in complex with K-26
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-08-09 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 1 |
| Unit cell lengths | 73.005, 77.320, 82.070 |
| Unit cell angles | 88.69, 64.53, 75.29 |
Refinement procedure
| Resolution | 36.610 - 2.100 |
| R-factor | 0.23532 |
| Rwork | 0.233 |
| R-free | 0.27681 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nxq |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.914 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.080 | 0.490 |
| Number of reflections | 90926 | |
| <I/σ(I)> | 7.8 | 1.6 |
| Completeness [%] | 84.0 | 71 |
| Redundancy | 1.8 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | MORPHEUS A9 (0.06M DIVALENTS, 0.1M TRIS/BICINE PH 8.5, 30% PEG550MME/PEG20K) SILVER BULLET G3 SOLUTION (HAMPTON RESEARCH) ADDITIVE. 1:1:1 PROTEIN:RESERVOIR:ADDITIVE |
