9S45
ClxA from Clostridium cavendishii in complex with 3-amino,4-hydroxybenzoic acid and its adenylate
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2023-05-19 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.84550 |
| Spacegroup name | P 1 |
| Unit cell lengths | 73.209, 80.241, 82.742 |
| Unit cell angles | 89.97, 84.29, 76.16 |
Refinement procedure
| Resolution | 57.260 - 2.150 |
| Rwork | 0.210 |
| R-free | 0.27000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.330 | 2.190 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.100 | 0.610 |
| Rpim | 0.100 | 0.610 |
| Number of reflections | 97660 | 4799 |
| <I/σ(I)> | 12.6 | 1.9 |
| Completeness [%] | 98.7 | |
| Redundancy | 3.8 | |
| CC(1/2) | 0.990 | 0.680 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.1 M succinci acid; 15% (w/v) PEG 3350; 2 mM ATP; 4 mM 3-amino-4-hydroxy benzoic acid |
