4MV6
Crystal Structure of Biotin Carboxylase from Haemophilus influenzae in Complex with Phosphonoacetamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-12-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 64 |
| Unit cell lengths | 85.782, 85.782, 102.642 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.220 - 1.770 |
| R-factor | 0.1758 |
| Rwork | 0.174 |
| R-free | 0.20340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dv1 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.998 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.220 | 1.870 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Number of reflections | 40744 | |
| <I/σ(I)> | 21.5 | 2.3 |
| Completeness [%] | 97.7 | 97.9 |
| Redundancy | 2.3 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295.15 | 0.2 M Ammonium acetate, 20% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 295.15K |
