6ALA
Crystal structure of H108A peptidylglycine alpha-hydroxylating monooxygenase (PHM) in complex with citrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-08-14 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.033 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 171.370, 52.462, 116.457 |
| Unit cell angles | 90.00, 128.74, 90.00 |
Refinement procedure
| Resolution | 29.050 - 2.590 |
| R-factor | 0.1805 |
| Rwork | 0.178 |
| R-free | 0.23770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1phm |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.896 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.1.29) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.050 | 29.050 | 2.680 |
| High resolution limit [Å] | 2.570 | 8.900 | 2.570 |
| Rmerge | 0.148 | 0.045 | 0.578 |
| Rmeas | 0.180 | 0.056 | 0.710 |
| Rpim | 0.102 | 0.032 | 0.407 |
| Total number of observations | 74724 | 1778 | 7076 |
| Number of reflections | 25240 | 624 | 2553 |
| <I/σ(I)> | 8.8 | 21.6 | 2 |
| Completeness [%] | 96.8 | 93.8 | 81.2 |
| Redundancy | 3 | 2.8 | 2.8 |
| CC(1/2) | 0.979 | 0.996 | 0.651 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 293 | 19-24% PEG 4000, Tris HCL |
