4DQ8
Crystal structure of acetate kinase AckA from Mycobacterium marinum
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-03-25 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0332 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.500, 87.170, 176.740 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.320 - 2.250 |
R-factor | 0.2131 |
Rwork | 0.211 |
R-free | 0.26010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3p4i |
RMSD bond length | 0.010 |
RMSD bond angle | 1.318 |
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 | 2.310 | |
High resolution limit [Å] | 2.250 | 10.060 | 2.250 |
Rmerge | 0.054 | 0.019 | 0.463 |
Number of reflections | 41517 | 521 | 3008 |
<I/σ(I)> | 18.99 | 44.36 | 3.23 |
Completeness [%] | 99.7 | 92 | 99.4 |
Redundancy | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 289 | MymaA.00640.a.A1 PW29994 at 14.2 mg/mL against PACT C10 focus screen, 0.2 M MgCl2, 0.1 M Hepes, 18% PEG 6000 with 20% ethylene glycol as cryo-protectant, crystal tracking ID 220845f4, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 289K |