8YVW

Crystal structure of D12N mutant of L-azetidine-2-carboxylate hydrolase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-08
Detector	RIGAKU JUPITER 210
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	47.176, 71.361, 72.349
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.380 - 1.190
R-factor	0.1199
Rwork	0.119
R-free	0.14500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3smv
RMSD bond length	0.009
RMSD bond angle	1.133
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.520	1.260
High resolution limit [Å]	1.190	1.190
Rmeas	0.037	0.334
Number of reflections	76136	10019
<I/σ(I)>	37.06	5.26
Completeness [%]	95.4	78.7
Redundancy	9	6.3
CC(1/2)	1.000	0.946

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	25% PEG 3350, 0.1M magnesium formate, 0.1 M imidazole/HCl buffer, pH8.0, 5 mM L-azetidine-2-carboxylate