5TNX
Crystal structure of Alcohol dehydrogenase zinc-binding domain protein from Burkholderia ambifaria
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-10-06 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 79.060, 92.650, 120.410 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.548 - 1.700 |
R-factor | 0.1493 |
Rwork | 0.148 |
R-free | 0.17150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f8f chain A |
RMSD bond length | 0.009 |
RMSD bond angle | 0.973 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.740 |
High resolution limit [Å] | 1.700 | 7.600 | 1.700 |
Rmerge | 0.056 | 0.039 | 0.477 |
Number of reflections | 47698 | ||
<I/σ(I)> | 19.07 | 41.4 | 4.02 |
Completeness [%] | 97.5 | 85.9 | 97.8 |
Redundancy | 6.3 | ||
CC(1/2) | 0.999 | 0.998 | 0.921 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | RigakuReagents JCSG+ screen, A3: 20% PEG 3350, 200mM Ammonium citrate dibasic; BuamA.10611.c.B1.PS37979 at 19.1mg/ml + 2.5mM NADP (not visible in structure); cryo: 20% EG; tray 283195a3, puck kgc9-6 |