5W56
Structure of Apo AztC
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-05-20 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.00001 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.469, 106.261, 61.672 |
| Unit cell angles | 90.00, 110.98, 90.00 |
Refinement procedure
| Resolution | 45.830 - 2.030 |
| R-factor | 0.16681 |
| Rwork | 0.165 |
| R-free | 0.20085 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4XRV |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.899 |
| Data reduction software | XDS |
| Data scaling software | Aimless (v0.5.32) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.830 | 2.080 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rmerge | 0.027 | 0.560 |
| Rpim | 0.016 | 0.340 |
| Number of reflections | 47607 | 3532 |
| <I/σ(I)> | 20.3 | 2.4 |
| Completeness [%] | 99.6 | 99.7 |
| Redundancy | 3.7 | 3.6 |
| CC(1/2) | 0.999 | 0.805 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 7 | 292 | Sodium formate 4.0-4.5 M, Bis-tris propane 0.1 M |
