3ZR4

STRUCTURAL EVIDENCE FOR AMMONIA TUNNELING ACROSS THE (BETA-ALPHA)8 BARREL OF THE IMIDAZOLE GLYCEROL PHOSPHATE SYNTHASE BIENZYME COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 32
Unit cell lengths	85.399, 85.399, 171.109
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	55.960 - 2.410
R-factor	0.19897
Rwork	0.194
R-free	0.25771
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gpw
RMSD bond length	0.012
RMSD bond angle	1.457
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.950	2.500
High resolution limit [Å]	2.400	2.400
Rmerge	0.050	0.340
Number of reflections	51685
<I/σ(I)>	16.8	2.6
Completeness [%]	95.5	88.9
Redundancy	2.4	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1