7D9E

Gamma-glutamyltranspeptidase from Pseudomonas nitroreducens complexed with L-DON

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-05
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	49.170, 99.160, 53.990
Unit cell angles	90.00, 102.60, 90.00

Refinement procedure

Resolution	40.100 - 1.500
R-factor	0.1426
Rwork	0.142
R-free	0.15670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zjg
RMSD bond length	0.007
RMSD bond angle	1.018
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.530	1.520
High resolution limit [Å]	1.500	1.500
Rmerge	0.059	0.588
Number of reflections	80575	6340
<I/σ(I)>	13.9
Completeness [%]	99.9
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	The mother solution: 16% (w/v) PEG 8000, 15% (w/v) PEG 400, 0.1M HEPES pH7, 150mM Gly-Gly, 50 mM Lys The obtained crystal was soaked into the solution containing 50mM L-DON for 15 min before the X-ray diffraction measurement.