2ICH
CRYSTAL STRUCTURE OF A PUTATIVE ATTH (NE1406) FROM NITROSOMONAS EUROPAEA AT 2.00 A RESOLUTION
Experimental procedure
| Experimental method | MAD |
| 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 | 2006-08-11 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97939,0.94926,0.97925 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.275, 95.573, 121.745 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.161 - 2.000 |
| R-factor | 0.184 |
| Rwork | 0.182 |
| R-free | 0.23200 |
| Structure solution method | MAD |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.647 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.161 | 29.160 | 2.050 |
| High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
| Rmerge | 0.117 | 0.049 | 0.599 |
| Total number of observations | 2052 | 12427 | |
| Number of reflections | 49800 | ||
| <I/σ(I)> | 5.3 | 11.7 | 1.3 |
| Completeness [%] | 98.4 | 96.9 | 95.9 |
| Redundancy | 3.6 | 3.2 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP, NANODROP | 9 | 293 | 1.4M ammonium sulfate, 0.1M CHES, pH 9.0, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 293K |
