Table 1. Crystallographic data and refinement statistics.
Values in parentheses are for the highest resolution shell. laRFP-ΔS83, laRFP mutant with Ser83 deletion. laRFPdam, structure exposed to prolonged X-ray irradiation.
| Protein | laGFP (PDB code 4hvf) | laRFP (PDB code 4jf9) | laRFP-ΔS83 (PDB code 4jge) | laRFPdam (PDB code 4jeo) |
|---|---|---|---|---|
| Crystallographic data | ||||
| Space group | P212121 | P6422 | P6422 | P6422 |
| Unit-cell parameters (Å) | a = 72.2, b = 105.8, c = 121.1 | a = b = 133.6, c = 156.1 | a = b = 133.8, c = 157.0 | a = b = 134.3, c = 156.9 |
| Z/Z′ | 16/4 | 24/2 | 24/2 | 24/2 |
| Estimated solvent content (%) | 47 | 70 | 70 | 70 |
| Temperature (K) | 100 | 100 | 100 | 100 |
| Wavelength (Å) | 1.00 | 1.00 | 1.00 | 1.00 |
| Resolution range (Å) | 26.56–1.71 (1.77–1.71) | 23.24–2.34 (2.42–2.34) | 22.76–1.94 (2.01–1.94) | 29.83–2.34 (2.42–2.34) |
| Total observations | 742799 | 168256 | 234508 | 197594 |
| Unique reflections observed | 101261 | 34207 | 60055 | 35065 |
| Multiplicity | 7.3 (6.4) | 4.9 (3.9) | 4.0 (3.9) | 5.6 (5.7) |
| 〈I/σ(I)〉 | 22.2 (4.1) | 9.4 (2.3) | 14.2 (3.2) | 13.4 (2.9) |
| R merge | 0.081 (0.415) | 0.175 (0.630) | 0.109 (0.425) | 0.131 (0.627) |
| Completeness (%) | 99.5 (95.3) | 96.3 (95.0) | 97.2 (89.1) | 98.7 (99.0) |
| Refinement statistics | ||||
| Non-H atoms in model | ||||
| Protein | 7345 [4 × residues 1–220] | 3522 [2 × residues 1–220] | 3514 [2 × residues 1–219] | 3522 [2 × residues 1–220] |
| Water | 613 | 328 | 496 | 325 |
| Glycerol | 12 | 6 | 6 | |
| R work † | 0.177 [99.0%] | 0.156 [95.9%] | 0.155 [98.0%] | 0.150 [96%] |
| R free † | 0.213 [1.0%] | 0.198 [4.1%] | 0.194 [2.0%] | 0.197 [4.0%] |
| Mean B factors (Å2) | ||||
| Protein atoms | ||||
| Main chain | 16.3 | 14.4 | 17.7 | 16.4 |
| Side chain | 18.6 | 16.2 | 20.5 | 19.2 |
| Chromophore | 14.0 | 10.4 | 15.1 | 13.6 |
| R.m.s.d.s from ideal values | ||||
| Bond lengths (Å) | 0.030 | 0.024 | 0.033 | 0.027 |
| Bond angles (°) | 2.1 | 2.0 | 2.3 | 2.0 |
| Torsion angles (period 3) (°) | 15 | 16 | 14 | 16 |
| Chirality (Å3) | 0.18 | 0.15 | 0.24 | 0.16 |
| General planes (Å) | 0.017 | 0.011 | 0.015 | 0.013 |
| Ramachandran statistics (%) | ||||
| Preferred | 96.8 | 98.4 | 98.4 | 98.3 |
| Allowed | 2.3 | 1.6 | 1.4 | 1.7 |
| Outliers | 0.9 | 0.0 | 0.2 | 0.0 |
†
The values in square brackets are the percentages of the data in the working (R work) and free (R free) sets.