7ULH
Crystal Structure of a Short chain dehydrogenase from Mycobacterium avium 104
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 | 2010-10-18 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9774 |
Spacegroup name | H 3 2 |
Unit cell lengths | 241.810, 241.810, 241.960 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.370 - 2.600 |
R-factor | 0.159 |
Rwork | 0.158 |
R-free | 0.19320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qlj as per Morda |
RMSD bond length | 0.004 |
RMSD bond angle | 0.625 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MoRDa |
Refinement software | PHENIX (1.20.1-4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.670 |
High resolution limit [Å] | 2.600 | 11.630 | 2.600 |
Rmerge | 0.142 | 0.027 | 0.587 |
Rmeas | 0.156 | 0.030 | 0.646 |
Number of reflections | 83023 | 988 | 6082 |
<I/σ(I)> | 12.22 | 41.08 | 3.01 |
Completeness [%] | 99.9 | 98 | 100 |
Redundancy | 5.653 | 5.328 | 5.698 |
CC(1/2) | 0.993 | 0.999 | 0.830 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 287 | Molecular dimensions / Calibre PACT screen, condition F1: 200mM sodium fluoride, 20% (w/V) PEG 3350: MyavA.01582.a.A1.PW29034 at 10mg/ml: tray: 217324 F1: cryo: 25% EG: puck: doh7-8. |