9NGA
cis-CaaD T34A mutant soaked with cis-3-chloroacrylic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-09-22 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 1. |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 59.723, 98.805, 142.619 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.610 - 2.400 |
| R-factor | 0.2209 |
| Rwork | 0.211 |
| R-free | 0.30850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.078 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rpim | 0.094 | 0.445 |
| Number of reflections | 15076 | 554 |
| <I/σ(I)> | 7.89 | |
| Completeness [%] | 88.7 | |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.2 M ammonium sulfate 20% w/v PEG 3,350 |
