7F7C
Crystal structure of Non-specific class-C acid phosphatase from Sphingobium sp. RSMS bound to Adenosine at pH 5.5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | RRCAT INDUS-2 BEAMLINE PX-BL21 |
Synchrotron site | RRCAT INDUS-2 |
Beamline | PX-BL21 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2018-10-06 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 0.979500 |
Spacegroup name | I 41 3 2 |
Unit cell lengths | 167.998, 167.998, 167.998 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.500 - 2.200 |
R-factor | 0.1858 |
Rwork | 0.184 |
R-free | 0.22530 |
Structure solution method | AB INITIO PHASING |
RMSD bond length | 0.010 |
RMSD bond angle | 1.016 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MR-Rosetta |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.500 | 2.270 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 20831 | 1758 |
<I/σ(I)> | 10.5 | |
Completeness [%] | 100.0 | |
Redundancy | 13.8 | |
CC(1/2) | 0.997 | 0.686 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 294 | 1M Ammonium sulphate, 0.1 M Bis-tris pH 5.5, 1% PEG 3350 |