4K2M
Crystal structure of ntda from bacillus subtilis in complex with the plp external aldimine adduct with kanosamine-6-phosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-10-06 |
Detector | MARMOSAIC 300 mm CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.700, 106.440, 98.240 |
Unit cell angles | 90.00, 96.42, 90.00 |
Refinement procedure
Resolution | 46.730 - 1.710 |
R-factor | 0.154 |
Rwork | 0.152 |
R-free | 0.18600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4k2b |
RMSD bond length | 0.007 |
RMSD bond angle | 1.130 |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.800 | 1.750 |
High resolution limit [Å] | 1.710 | 1.710 |
Rmerge | 0.066 | 0.755 |
Number of reflections | 108740 | |
<I/σ(I)> | 14.28 | 2.14 |
Completeness [%] | 99.3 | 98.5 |
Redundancy | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.6 | 295 | 0.1M tri-sodium citrate pH 5.6, 0.2M ammonium acetate, 10-30% PEG3350, microbatch, temperature 295K |