3I4S
CRYSTAL STRUCTURE OF HISTIDINE TRIAD PROTEIN blr8122 FROM Bradyrhizobium japonicum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2009-06-18 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 104.020, 104.020, 53.563 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.750 |
| R-factor | 0.17937 |
| Rwork | 0.178 |
| R-free | 0.21821 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.309 |
| Data reduction software | DENZO |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.3.0034) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.840 | |
| Number of reflections | 30189 | |
| <I/σ(I)> | 6.2 | 1.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.5 | 12.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 100MM BIS-TRIS-HCL, PH 6.5, 30% Pentaerythritol Ethoxylate, 50MM AMMONIUM SULFATE, 10% GLYCEROL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |
