3RRP
Crystal structure of fumarate hydratase Fum from Mycobacterium abscessus with malate bound
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 | 2011-03-26 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97740 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 97.800, 156.920, 57.760 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.300 |
R-factor | 0.1624 |
Rwork | 0.160 |
R-free | 0.20700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3rd8 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.380 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.360 | |
High resolution limit [Å] | 2.300 | 10.290 | 2.300 |
Rmerge | 0.147 | 0.033 | 0.527 |
Number of reflections | 39296 | 522 | 2719 |
<I/σ(I)> | 11.37 | 32.16 | 3.19 |
Completeness [%] | 97.4 | 98.1 | 93.1 |
Redundancy | 5.5 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | MyabA.01507.a.A1 PW30392 at 29.54 mg/mL against Wizard III/IV screen condition G8, 2.1 M DL Malic acid, pH 7.0 with 25% ethylene glycol as cryo-protectant, crystal tracking ID 220029g8, VAPOR DIFFUSION, SITTING DROP, temperature 289K |