4RZQ
Structural Analysis of Substrate, Reaction Intermediate and Product Binding in Haemophilus influenzae Biotin Carboxylase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-31 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 64 |
| Unit cell lengths | 86.197, 86.197, 102.364 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.720 - 1.980 |
| R-factor | 0.17828 |
| Rwork | 0.176 |
| R-free | 0.21697 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dv1 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.055 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.720 | 2.090 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Number of reflections | 30073 | |
| <I/σ(I)> | 19.5 | 2.8 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.6 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298.15 | 16% PEG3350 0.2M KCl Protein was incubated with solid N1 -methoxycarbonylbiotin methyl ester for 5 days prior to crystallization, VAPOR DIFFUSION, SITTING DROP, temperature 298.15K |
