2YXL
Crystal Structure of PH0851
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-12-08 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 116.621, 116.621, 93.684 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.180 - 2.550 |
| R-factor | 0.2139 |
| Rwork | 0.212 |
| R-free | 0.24575 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sqf |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.113 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.071 | 0.803 |
| Number of reflections | 37661 | |
| <I/σ(I)> | 32.4 | 2.14 |
| Completeness [%] | 99.4 | 98.7 |
| Redundancy | 10.4 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 293 | 1.14M Na-Citrate, 0.08M Na-Hepes(pH 7.0), 8% 1.6-Hexanediol, 200mM NaCl, VAPOR DIFFUSION, temperature 293K |
