7HK5

Crystal Structure of N-methylhydantoinase in complex with 1-methylimidazolidine-2,4-dione

This is a non-PDB format compatible entry.

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	2016-02-17
Detector	PSI PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 42 21 2
Unit cell lengths	219.380, 219.380, 135.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.600 - 2.070
R-factor	0.1838
Rwork	0.182
R-free	0.22460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	inhouse model
RMSD bond length	0.010
RMSD bond angle	0.994
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_2363)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.600	49.600	2.120
High resolution limit [Å]	2.070	9.260	2.070
Rmerge	0.284	0.079	3.965
Rmeas	0.294	0.082	4.110
Total number of observations	2800486
Number of reflections	198488	2473	14530
<I/σ(I)>	7.79	28.02	0.84
Completeness [%]	99.9	98.8	100
Redundancy	14.109	12.79	14.403
CC(1/2)	0.996	0.998	0.323

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	8-21 mg/ml protein in 20mM HEPES/NaOH pH 7.4, 0.1 M NaCl, 100 mM MgCl2, 30mM NH4Cl mixed 1+1 with 0.2 M Ammonium acetate, 0.1 M Bis-Tris/HCl pH 5.5, 25 %w/v PEG 3350, 3 %v/v TMAO