4ARU
Hafnia Alvei phytase in complex with tartrate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 120 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315r |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 101.055, 101.399, 84.946 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.800 - 1.450 |
R-factor | 0.16306 |
Rwork | 0.162 |
R-free | 0.18865 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ars |
RMSD bond length | 0.014 |
RMSD bond angle | 1.631 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.760 | 1.530 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.120 | 1.090 |
Number of reflections | 77478 | |
<I/σ(I)> | 13.9 | 2.5 |
Completeness [%] | 99.9 | 100 |
Redundancy | 13.2 | 11 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.7MG/ML PROTEIN MIXED WITH MIHS AT 3:1 MOLAR RATIO; CONDITION H2 OF INDEX SCREEN, 0.2M POTASSIUM SODIUM TARTRATE; 20% PEG 3350 PH 8.5 |