5NNB
Isatin hydrolase A (IHA) from Labrenzia aggregata with isatinate bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-10-30 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 1 |
| Unit cell lengths | 38.346, 69.923, 93.536 |
| Unit cell angles | 108.23, 95.26, 103.76 |
Refinement procedure
| Resolution | 19.505 - 1.800 |
| R-factor | 0.1899 |
| Rwork | 0.188 |
| R-free | 0.22780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4m8d |
| RMSD bond length | 0.020 |
| RMSD bond angle | 0.992 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.651 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 77447 | |
| <I/σ(I)> | 9.9 | |
| Completeness [%] | 93.6 | |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 15 mg/mL in 5 mM tris-HCl 7.5, 100 mM NaCl 1.0 mM MnCl2, 20 % glycerol and 20 % PEG 1500 |
