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 |