1Q7R
X-ray crystallographic analysis of a predicted amidotransferase from B. stearothermophilus at 1.9 A resolution
Experimental procedure
| Experimental method | SAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 5ID-B |
| Synchrotron site | APS |
| Beamline | 5ID-B |
| Temperature [K] | 170 |
| Detector technology | CCD |
| Collection date | 2003-06-29 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.979174 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 44.947, 44.947, 202.668 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.730 - 1.900 |
| R-factor | 0.19508 |
| Rwork | 0.193 |
| R-free | 0.23231 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.577 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.000 | 1.990 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.083 | 0.286 |
| Number of reflections | 16323 | |
| <I/σ(I)> | 5.5 | 2.6 |
| Completeness [%] | 93.4 | 84.4 |
| Redundancy | 6 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 277 | drop: 0.05 M NaAc pH 5.0, 5 mM Tris pH 8.3, 9% PEG 4K, 0.15 M AmS, 0.25 M NaCl, 2.5 mM DTT; resevoir: 0.1 M NaAc pH 5.0, 18 % PEG 4K, 0.3 M AmS., VAPOR DIFFUSION, HANGING DROP, temperature 277K |
