Table 2.

Crystallographic data collection and refinement statistics

Protein	R503Q	R515L	R515Q	R515W	G6P complex
Space Group	P41212	P41212	P41212	P41212	P41212
Unit cell	172.1 172.1	171.3 171.3	174.0 174.0	172.3 172.3	171.9 171.9
parameters (Å)	99.8	99.4	99.5	99.4	99.4
Resolution (Å)	60.95 (1.95)	60.68 (2.20)	61.5 (2.60)	60.93 (1.75)	60.82 (2.30)
Observations	1557274 (74492)	893507 (42745)	660415 (62010)	2043537 (59107)	878402 (37536)
Unique	108994 (5314)	75286 (4379)	47453 (4566)	150294 (6946)	64976 (3790)
reflections
Rmerge (I)	0.14 (1.902)	0.279 (2.141)	0.185 (1.846)	0.089 (1.58)	0.160 (1.774)
Rpim (I)	0.038 (0.526)	0.084 (0.72)	0.052 (0.518)	0.025 (0.561)	0.045 (0.573)
Mean I/σ(I)	15.1 (1.5)	9.8 (1.2)	15.2 (1.4)	20.1 (1.1)	14.8 (1.3)
CC1/2	0.999 (0.709)	0.997 (0.693)	0.998 (0.796)	0.999 (0.595)	0.998 (0.656)
Completeness (%)	100.0 (99.9)	100.0 (99.9)	100.0 (100.0)	99.7 (93.6)	97.8 (82.6)
Multiplicity	14.3 (14)	11.9 (9.8)	13.9 (13.6)	13.6 (8.5)	13.5 (9.9)
No. of protein residues	1126	1128	1124	1125	1128
No. of atoms	9725	9316	8281	9898	9259
No. of sulfate ions	18	6	13	5	0
No. of water molecules	949	635	91	1180	571
Rcryst	0.1693	0.1897	0.2386	0.1652	0.1674
Rfree	0.2129	0.2507	0.2954	0.1909	0.2263
RMSD bond lengths (Å)	0.007	0.007	0.010	0.006	0.007
RMSD bond angles (°)	0.812	0.853	1.384	0.783	0.894
Ramachandran
Plot
Favored (%)	98.03	96.44	96.78	98.21	96.80
Outliers (%)	0.18	0.18	0.63	0.09	0.18
MOLPROBITY	98	98	98	99	99
score (%-tile)
Average B (Å2)	41.82	52.17	71.27	32.07	41.11
Protein	40.57	52.03	70.94	30.31	40.89
Water	45.53	50.04	52.38	42.13	42.48
Sulfate ions	112.54/18	108.43/6	129.77/13	67.15/5	-
(<B>/#)
Glucose 6-P	-	-	-	-	79.21/2
(<B>/#)
Coordinate	0.197	0.295	0.454	0.211	0.270
Error (Å)
PDB code	5VG7	5VEC	5VIN	5VBI	6BJ0

Values for the outer resolution shell of data are given in parentheses.

^aRamachandran plots generated with Molprobity via the PDB validation server.

^bMaximum likelihood-based coordinate error estimate reported by PHENIX.