4Q12
Crystal structure of a putative uncharacterized protein Rv3404c and likely sugar N-formyltransferase from Mycobacterium tuberculosis bound to uridine diphosphate
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 | 2014-03-12 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | I 41 3 2 |
Unit cell lengths | 271.940, 271.940, 271.940 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.850 |
R-factor | 0.1725 |
Rwork | 0.172 |
R-free | 0.19370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4pzu |
RMSD bond length | 0.009 |
RMSD bond angle | 1.414 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.5.6) |
Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.920 | |
High resolution limit [Å] | 2.850 | 12.750 | 2.850 |
Rmerge | 0.157 | 0.049 | 0.654 |
Number of reflections | 40065 | 522 | 2915 |
<I/σ(I)> | 21.69 | 45.1 | 5.9 |
Completeness [%] | 100.0 | 97.2 | 100 |
Redundancy | 24.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | MytuD.17389.a.A1.PW30616 at 19 mg/mL with 2 mM UDP against CHST screen condition E1, 2.0 M NaCl, 10% PEG 6000 with 20% ethylene glycol as cryo-protectant, crystal tracking ID 253215e1, unique puck ID tbx9-1, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |