2C4B
Inhibitor cystine knot protein McoEeTI fused to the catalytically inactive barnase mutant H102A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
| Synchrotron site | MPG/DESY, HAMBURG |
| Beamline | BW6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-05-19 |
| Detector | MARRESEARCH |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 74.020, 217.710, 58.340 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.840 - 1.300 |
| R-factor | 0.133 |
| Rwork | 0.132 |
| R-free | 0.16400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a2p |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.319 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | EPMR |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.800 | 1.400 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.040 | 0.420 |
| Number of reflections | 114401 | |
| <I/σ(I)> | 14 | 2.42 |
| Completeness [%] | 98.7 | 98.1 |
| Redundancy | 3.1 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 1.3 M AMMONIUM SULPHATE, 7% PEG400 (V/V), 0.1 M MES PH 6.5 AS RESERVOIR SOLUTION. DROPLETS MIXED FROM 8 UL PROTEIN (30 MG/ML) AND 4 UL RESERVOIR. SITTING DROP VAPOR DIFFUSION. 4 DEG. C. |
