1QJ4
HYDROXYNITRILE-LYASE FROM HEVEA BRASILIENSIS AT ATOMIC RESOLUTION
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7B |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-08-15 |
| Detector | MARRESEARCH |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 47.287, 106.655, 128.160 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.100 |
| R-factor | 0.1149 |
| R-free | 0.14370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7yas |
| RMSD bond length | 0.014 |
| RMSD bond angle | 0.030 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXL-97 |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.110 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Number of reflections | 123339 | |
| <I/σ(I)> | 20.4 | 3 |
| Completeness [%] | 94.1 | 92.3 |
| Redundancy | 4.1 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.4 | 0.1 M NATRIUM HEPES BUFFER PH=7.4 2 % PEG 400, 2.0 M AMMONIUM SULFATE, ROOM-TEMP., pH 7.40 |
