4ARO
Hafnia Alvei phytase in complex with myo-inositol hexakis sulphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2011-09-22 |
| Detector | ADSC CCD |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 82.300, 82.300, 103.620 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.940 - 1.590 |
| R-factor | 0.1578 |
| Rwork | 0.156 |
| R-free | 0.19191 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ars |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.870 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.900 | 1.680 |
| High resolution limit [Å] | 1.590 | 1.590 |
| Rmerge | 0.100 | 0.120 |
| Number of reflections | 54630 | |
| <I/σ(I)> | 17.2 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.7 | 10.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.5 | 40MG/ML PROTEIN IN 50MM SODIUM ACETATE PH 4.5 WITH 5 MM MIHS IN 50 MM SODIUM ACETATE PH 4.5 IN JCSG CONDITION 12 0.04 M KH2PO4 16% PEG 8K 20% GLYCEROL |
