3D7K
Crystal structure of benzaldehyde lyase in complex with the inhibitor MBP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-ID-B |
| Synchrotron site | APS |
| Beamline | 14-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-09-12 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 151.936, 151.936, 98.217 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.000 - 2.490 |
| R-factor | 0.19977 |
| Rwork | 0.194 |
| R-free | 0.24958 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ag0 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.916 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 46.000 |
| High resolution limit [Å] | 2.190 |
| Rmerge | 0.138 |
| Number of reflections | 54267 |
| <I/σ(I)> | 12.4 |
| Completeness [%] | 80.7 |
| Redundancy | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.9 | 293 | 50% PEG 200, 100 mM MES, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 6.90 |
