7HK7

Crystal Structure of N-methylhydantoinase in complex with Mg-ADPNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-26
Detector	PSI PILATUS 6M
Wavelength(s)	0.999860
Spacegroup name	P 1
Unit cell lengths	70.730, 84.250, 236.250
Unit cell angles	93.25, 94.82, 89.07

Refinement procedure

Resolution	49.380 - 3.130
R-factor	0.2249
Rwork	0.223
R-free	0.26450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	inhouse model
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.380	49.380	3.210
High resolution limit [Å]	3.130	14.000	3.130
Rmerge	0.222	0.038	0.943
Rmeas	0.314	0.054	1.334
Total number of observations	167171
Number of reflections	92887	997	6927
<I/σ(I)>	3.58	16.48	0.75
Completeness [%]	97.1	94.7	96.8
Redundancy	1.8	1.985	1.67
CC(1/2)	0.926	0.995	0.311

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	293	8 mg/ml protein in 20mM HEPES/NaOH pH 7.4, 0.1 M NaCl, 100 mM MgCl2, 30mM NH4Cl mixed 1+1 with 0.1 M Bicine/NaOH pH 9.0, 20 %w/v PEG 6000, 0.2 M MgCl2, 2 mM ADPNP