3NM4
Helicobacter pylori MTAN
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2009-07-11 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.078 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 81.310, 81.310, 135.485 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.940 - 1.700 |
R-factor | 0.1713 |
Rwork | 0.170 |
R-free | 0.19530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bl6 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.005 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | EPMR |
Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 1.700 |
Number of reflections | 57817 |
<I/σ(I)> | 9.3 |
Completeness [%] | 100.0 |
Redundancy | 14.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 16 % w/v PEG 8000, 0.1 M Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |