3R4K
Crystal structure of a putative ICLR transcriptional regulator (TM1040_3717) from SILICIBACTER SP. TM1040 at 2.46 A resolution
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-02-05 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9116,0.9796,0.9794 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 203.983, 75.523, 77.010 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.140 - 2.460 |
| R-factor | 0.1922 |
| Rwork | 0.190 |
| R-free | 0.23120 |
| Structure solution method | MAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.070 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.15) |
| Phasing software | SHELX |
| Refinement software | BUSTER-TNT (2.8.0) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.140 | 29.140 | 2.520 |
| High resolution limit [Å] | 2.460 | 11.000 | 2.460 |
| Rmerge | 0.040 | 0.825 | |
| Total number of observations | 1704 | 11083 | |
| Number of reflections | 41482 | ||
| <I/σ(I)> | 7.5 | 21.6 | 1.7 |
| Completeness [%] | 94.3 | 85.2 | 97.1 |
| Redundancy | 3.5 | 3.5 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.3 | 277 | 0.20M CaAcetate, 20.0% PEG-3350, No Buffer pH 7.3, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
