1TD4
Crystal structure of VSHP_BPP21 in space group H3 with high resolution.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X9B |
Synchrotron site | NSLS |
Beamline | X9B |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 4 |
Spacegroup name | H 3 |
Unit cell lengths | 53.909, 53.909, 77.456 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.000 - 1.500 |
R-factor | 0.1261 |
R-free | 0.19580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1td3 |
RMSD bond length | 0.011 |
RMSD bond angle | 0.028 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.550 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.084 | 0.461 |
Number of reflections | 13405 | |
<I/σ(I)> | 19.1 | 2.4 |
Completeness [%] | 99.8 | 98.4 |
Redundancy | 10.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.5 | 295 | Na Acetate, PEG-MME 5000, MgCl2, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K, pH 4.50 |