5NNA
Isatin hydrolase A (IHA) from Labrenzia aggregata bound to benzyl benzoate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-04-01 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.0004 |
| Spacegroup name | P 1 |
| Unit cell lengths | 37.690, 70.670, 92.920 |
| Unit cell angles | 108.23, 95.94, 101.48 |
Refinement procedure
| Resolution | 63.544 - 1.500 |
| R-factor | 0.1493 |
| Rwork | 0.148 |
| R-free | 0.17700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4m8d |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.093 |
| Data reduction software | xia2 |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.544 | 1.540 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 135214 | |
| <I/σ(I)> | 10 | |
| Completeness [%] | 95.7 | |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 28 % PEG 1500 and 1 mM MnCl2 |
