3TSC
Crystal structure of short chain dehydrogenase MAP_2410 from Mycobacterium paratuberculosis bound to NAD
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 | 2011-09-09 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9774 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 57.980, 127.170, 69.690 |
Unit cell angles | 90.00, 104.49, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.050 |
R-factor | 0.1648 |
Rwork | 0.162 |
R-free | 0.21250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pgx |
RMSD bond length | 0.012 |
RMSD bond angle | 1.495 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.3.0) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.100 | |
High resolution limit [Å] | 2.050 | 9.170 | 2.050 |
Rmerge | 0.130 | 0.040 | 0.474 |
Number of reflections | 60295 | 645 | 4364 |
<I/σ(I)> | 10.54 | 29.58 | 3.21 |
Completeness [%] | 98.5 | 89.7 | 97.3 |
Redundancy | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | MypaA.01326.g.A1 PW29476 at 27.6 mg/mL against JCSG+ D5, 70% MPD, 0.1 M Hepes pH 7.5, crystal tracking ID 220650d3, VAPOR DIFFUSION, SITTING DROP, temperature 289K |