1H47
Structures of MECP synthase in complex with (i) CMP and (ii) CMP and product
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Collection date | 2002-02-15 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 88.082, 117.582, 54.215 |
| Unit cell angles | 90.00, 90.21, 90.00 |
Refinement procedure
| Resolution | 87.710 - 1.990 |
| R-factor | 0.216 |
| Rwork | 0.214 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gx1 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.625 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.050 | 0.380 |
| Number of reflections | 141167 | |
| <I/σ(I)> | 13.2 | 2 |
| Completeness [%] | 95.8 | 91 |
| Redundancy | 1.8 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | 10-20% PEG 2000 MONOETHYL ETHER, 0.1M AMMONIUM SULPHATE, 0.1M SODIUM ACETATE, pH 5.60 |
