7CCY
Crystal structure of the 2-iodoporphobilinogen-bound holo form of human hydroxymethylbilane synthase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-07-19 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 1.5 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.011, 81.237, 109.097 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.910 - 2.400 |
| R-factor | 0.2053 |
| Rwork | 0.202 |
| R-free | 0.27300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ecr |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.319 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.910 | 2.550 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 25907 | 7702 |
| <I/σ(I)> | 11.3 | 2.8 |
| Completeness [%] | 98.5 | 95.8 |
| Redundancy | 3.4 | 3.4 |
| CC(1/2) | 0.997 | 0.851 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 293 | PEG 3350, diammonium hydrogen citrate, dithothreitol |
