3SC4
Crystal structure of a Short chain dehydrogenase (A0QTM2 homolog) Mycobacterium thermoresistibile
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 | 2011-05-21 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 65 |
Unit cell lengths | 111.490, 111.490, 124.880 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.280 - 2.500 |
R-factor | 0.181 |
Rwork | 0.178 |
R-free | 0.22000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kvo |
RMSD bond length | 0.014 |
RMSD bond angle | 1.460 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.280 | 2.560 | |
High resolution limit [Å] | 2.500 | 11.180 | 2.500 |
Rmerge | 0.101 | 0.026 | 0.564 |
Number of reflections | 30423 | 349 | 2240 |
<I/σ(I)> | 21.89 | 60.5 | 4.4 |
Completeness [%] | 99.8 | 98.6 | 100 |
Redundancy | 9.3 | 9.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 290 | Internal tracking number 220646H3. Focus screen based on JCSG E2. 2 M ammonium sulfate, 0.1 M cacodylate, pH 6.54, 200 mM sodium chloride. MythA.01365.a.A1 PW28688 at 27.8 mg/mL, VAPOR DIFFUSION, SITTING DROP, temperature 290K |