3MBR

Crystal Structure of the Glutaminyl Cyclase from Xanthomonas campestris

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	I 4
Unit cell lengths	95.330, 95.330, 65.088
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.310 - 1.440
R-factor	0.17625
Rwork	0.174
R-free	0.20871
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2faw
RMSD bond length	0.027
RMSD bond angle	2.301
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.490
High resolution limit [Å]	1.440	1.440
Rmerge	0.034	0.454
Number of reflections	52509
<I/σ(I)>	55.1	3.2
Completeness [%]	99.9	100
Redundancy	6.3	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.68	298	50mM imidazole, 0.8M sodium citrate, pH 8.68, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	8.68	298	50mM imidazole, 0.8M sodium citrate, pH 8.68, VAPOR DIFFUSION, HANGING DROP, temperature 298K