3NG3
Crystal structure of deoxyribose phosphate aldolase from mycobacterium avium 104 in a schiff base with an unknown aldehyde
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-05-22 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9774 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 90.480, 116.320, 101.280 |
| Unit cell angles | 90.00, 105.76, 90.00 |
Refinement procedure
| Resolution | 44.780 - 2.150 |
| R-factor | 0.188 |
| Rwork | 0.186 |
| R-free | 0.22800 |
| Structure solution method | MR, MR |
| Starting model (for MR) | 1j2w |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.362 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.780 | 2.210 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.043 | 0.157 |
| Number of reflections | 50086 | |
| <I/σ(I)> | 23.03 | 7.9 |
| Completeness [%] | 91.3 | 95.8 |
| Redundancy | 4.2 | 4.06 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 290 | JCSG SCREEN CONDITION H3: 100MM BIS-TRIS PH 5.5, 25% PEG 3350; PROTEIN AT 60 MG/ML, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K |
