Table 1.

Statistics of data collection and structure refinement

Enzyme	Wild type	F120A	F120G	F120W
Data collection
Space group	P3221
Unit cell dimension (Å)	a = b = 64.05, c = 63.36	a = b = 63.66, c = 63.49	a = b = 63.73, c = 63.49	a = b = 63.90, c = 63.33
(deg)	γ = 120	γ = 120	γ = 120	γ = 120
X-ray source	SPring-8 BL40B2	SPring-8 BL44B2	SPring-8 BL40B2	SPring-8 BL44B2
Wavelength (Å)	0.968641	0.7	0.7	0.7
Detector	Rigaku RAXIS IV++ IP	ADSC Quantum 4R CCD	Rigaku RAXIS IV ++ IP	ADSC Quantium 4D CCD
Mount	Cryo protectant (300 mg/ml trehalose)
Maximum resolution (Å)	1.35	1.00	1.20	1.00
Data collection resolution (Å)	55.5–1.35	16.8–1.00	41.7–1.20	16.8–1.00
Number of total reflections	241,908	1,446,353	404,905	886,320
Number of unique reflections	33,471	80,089	41,727	80,099
Completeness (%)	98.8	99.7	88.8	99.6
Average I/σ	14.3	36.9	12.6	34.9
Rmerge	0.05	0.07	0.04	0.06
Structure refinement
Refinement resolution (Å)	6.00–1.40	5.00–1.40	6.00–1.40	6.00–1.40
R-factor	0.204	0.201	0.210	0.218
R-free	0.242	0.254	0.265	0.272
RMS (bond distances) (Å)	1.2	1.2	1.1	1.2
RMS (bond angle) (deg)	0.006	0.005	0.005	0.005